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Identification

Display Name:
(Z)-N-(3-ammoniopropyl)-N'-[3-octadecenylamino)propyl]propane-1,3-diaminium acetate
EC Number:
700-802-7
Molecular formula:
No molecular formula
IUPAC Name:
(Z)-N-(3-ammoniopropyl)-N'-[3-octadecenylamino)propyl]propane-1,3-diaminium acetate

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers

Compositions

Boundary Composition(s)

Legal Entity Composition(s) open all close all

State Form:
solid: bulk


Constituent 1
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-{3-[(9Z)-octadec-9-en-1-ylammonio]propyl}propane-1,3-diaminium tetraacetate
Molecular formula:
C35H74N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-{3-[(9Z)-octadec-9-en-1-ylammonio]propyl}propane-1,3-diaminium tetraacetate
Constituent 2
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-octadecylpropane-1,3-diaminium triacetate
Molecular formula:
C30H65N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-octadecylpropane-1,3-diaminium triacetate
Constituent 3
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[(9Z)-octadec-9-en-1-yl]propane-1,3-diaminium triacetate
Molecular formula:
C30H63N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-[(9Z)-octadec-9-en-1-yl]propane-1,3-diaminium triacetate
Constituent 4
Chemical structure
Reference substance name:
N-octadecylpropane-1,3-diaminium diacetate
Molecular formula:
C25H54N2O4
IUPAC Name:
N-octadecylpropane-1,3-diaminium diacetate
Constituent 5
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-({3-[(9Z)-octadec-9-en-1-ylammonio]propyl}ammonio)propyl]propane-1,3-diaminium pentaacetate
Molecular formula:
C40H85N5O10
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-({3-[(9Z)-octadec-9-en-1-ylammonio]propyl}ammonio)propyl]propane-1,3-diaminium pentaacetate
Constituent 6
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-(hexadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Molecular formula:
C33H72N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-(hexadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Constituent 7
Chemical structure
Reference substance name:
N-[(9Z)-octadec-9-en-1-yl]propane-1,3-diaminium diacetate
Molecular formula:
C25H52N2O4
IUPAC Name:
N-[(9Z)-octadec-9-en-1-yl]propane-1,3-diaminium diacetate
Constituent 8
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-hexadecylpropane-1,3-diaminium triacetate
Molecular formula:
C28H61N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-hexadecylpropane-1,3-diaminium triacetate
Constituent 9
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
CAS Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water
Constituent 10
Chemical structure
Reference substance name:
Octadecylammonium acetate
EC Number:
218-583-7
EC Name:
Octadecylammonium acetate
CAS Number:
2190-04-7
Molecular formula:
C20H43NO2
IUPAC Name:
octadecan-1-aminium acetate
Constituent 11
Chemical structure
Reference substance name:
(Z)-octadec-9-enylammonium acetate
EC Number:
233-945-4
EC Name:
(Z)-octadec-9-enylammonium acetate
Molecular formula:
C18H37N.C2H4O2
IUPAC Name:
(9Z)-octadec-9-en-1-aminium acetate
Constituent 12
Chemical structure
Reference substance name:
Hexadecylammonium acetate
EC Number:
217-954-0
EC Name:
Hexadecylammonium acetate
CAS Number:
2016-52-6
Molecular formula:
C18H39NO2
IUPAC Name:
hexadecan-1-aminium acetate
Constituent 13
Chemical structure
Reference substance name:
N-hexadecylpropane-1,3-diaminium diacetate
Molecular formula:
C23H50N2O4
IUPAC Name:
N-hexadecylpropane-1,3-diaminium diacetate
Constituent 14
Chemical structure
Reference substance name:
Propan-2-ol
EC Number:
200-661-7
EC Name:
Propan-2-ol
CAS Number:
67-63-0
Molecular formula:
C3H8O
IUPAC Name:
propan-2-ol
Constituent 15
Chemical structure
Reference substance name:
Acetic acid
EC Number:
200-580-7
EC Name:
Acetic acid
CAS Number:
64-19-7
Molecular formula:
C2H4O2
IUPAC Name:
acetic acid
Constituent 16
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-(3-{[3-(octadecylammonio)propyl]ammonio}propyl)propane-1,3-diaminium pentaacetate
Molecular formula:
C40H87N5O10
IUPAC Name:
N-(3-ammoniopropyl)-N'-(3-{[3-(octadecylammonio)propyl]ammonio}propyl)propane-1,3-diaminium pentaacetate
Constituent 17
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-(octadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Molecular formula:
C35H76N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-(octadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Constituent 18
Chemical structure
Reference substance name:
(9Z,12Z)-octadeca-9,12-dien-1-aminium acetate
Molecular formula:
C20H39NO2
IUPAC Name:
(9Z,12Z)-octadeca-9,12-dien-1-aminium acetate
Constituent 19
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[(9Z,12Z)-octadeca-9,12-dien-1-yl]propane-1,3-diaminium triacetate
Molecular formula:
C30H61N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-[(9Z,12Z)-octadeca-9,12-dien-1-yl]propane-1,3-diaminium triacetate
Constituent 20
Chemical structure
Reference substance name:
N-[(9Z,12Z)-octadeca-9,12-dien-1-yl]propane-1,3-diaminium diacetate
Molecular formula:
C25H50N2O4
IUPAC Name:
N-[(9Z,12Z)-octadeca-9,12-dien-1-yl]propane-1,3-diaminium diacetate
Constituent 21
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-({3-[(9Z,12Z)-octadeca-9,12-dien-1-ylammonio]propyl}ammonio)propyl]propane-1,3-diaminium pentaacetate
Molecular formula:
C40H83N5O10
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-({3-[(9Z,12Z)-octadeca-9,12-dien-1-ylammonio]propyl}ammonio)propyl]propane-1,3-diaminium pentaacetate
Constituent 22
Reference substance name:
unknown impurity 01
Molecular formula:
NYA
IUPAC Name:
unknown impurity 01
Constituent 23
Reference substance name:
unknown impurity 02
Molecular formula:
NYA
IUPAC Name:
unknown impurity 02
Constituent 24
Reference substance name:
unknown impurity 03
Molecular formula:
NYA
IUPAC Name:
unknown impurity 03
Constituent 25
Reference substance name:
unknown impurity 04
Molecular formula:
NA
IUPAC Name:
unknown impurity 04


Constituent 1
Chemical structure
Reference substance name:
C18:1 tripropylenetetraamine tetraacetate
Molecular formula:
C35H74N4O8
IUPAC Name:
C18:1 tripropylenetetraamine tetraacetate
Constituent 2
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-octadecylpropane-1,3-diaminium triacetate
Molecular formula:
C30H65N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-octadecylpropane-1,3-diaminium triacetate
Constituent 3
Chemical structure
Reference substance name:
C18:1 dipropylenetriamine triacetate
Molecular formula:
C30H63N3O6
IUPAC Name:
C18:1 dipropylenetriamine triacetate
Constituent 4
Chemical structure
Reference substance name:
N-octadecylpropane-1,3-diaminium diacetate
Molecular formula:
C25H54N2O4
IUPAC Name:
N-octadecylpropane-1,3-diaminium diacetate
Constituent 5
Chemical structure
Reference substance name:
C18:1 tetrapropylene pentaamine pentaacetate
Molecular formula:
C40H85N5O10
IUPAC Name:
C18:1 tetrapropylene pentaamine pentaacetate
Constituent 6
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-(hexadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Molecular formula:
C33H72N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-(hexadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Constituent 7
Chemical structure
Reference substance name:
C18:1 propylenediamine diacetate
Molecular formula:
C25H52N2O4
IUPAC Name:
C18:1 propylenediamine diacetate
Constituent 8
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-hexadecylpropane-1,3-diaminium triacetate
Molecular formula:
C28H61N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-hexadecylpropane-1,3-diaminium triacetate
Constituent 9
Chemical structure
Reference substance name:
Octadecylammonium acetate
EC Number:
218-583-7
EC Name:
Octadecylammonium acetate
CAS Number:
2190-04-7
Molecular formula:
C20H43NO2
IUPAC Name:
octadecan-1-aminium acetate
Constituent 10
Chemical structure
Reference substance name:
C18:1 amine acetate
Molecular formula:
C20H41NO2
IUPAC Name:
C18:1 amine acetate
Constituent 11
Chemical structure
Reference substance name:
Hexadecylammonium acetate
EC Number:
217-954-0
EC Name:
Hexadecylammonium acetate
CAS Number:
2016-52-6
Molecular formula:
C18H39NO2
IUPAC Name:
hexadecan-1-aminium acetate
Constituent 12
Chemical structure
Reference substance name:
N-hexadecylpropane-1,3-diaminium diacetate
Molecular formula:
C23H50N2O4
IUPAC Name:
N-hexadecylpropane-1,3-diaminium diacetate
Constituent 13
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-(3-{[3-(octadecylammonio)propyl]ammonio}propyl)propane-1,3-diaminium pentaacetate
Molecular formula:
C40H87N5O10
IUPAC Name:
N-(3-ammoniopropyl)-N'-(3-{[3-(octadecylammonio)propyl]ammonio}propyl)propane-1,3-diaminium pentaacetate
Constituent 14
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-(octadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Molecular formula:
C35H76N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-(octadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Constituent 15
Chemical structure
Reference substance name:
C18:2 amine acetate
Molecular formula:
C20H39NO2
IUPAC Name:
C18:2 amine acetate
Constituent 16
Chemical structure
Reference substance name:
C18:2 dipropylenetriamine triacetate
Molecular formula:
C30H61N3O6
IUPAC Name:
C18:2 dipropylenetriamine triacetate
Constituent 17
Chemical structure
Reference substance name:
C18:2 propylenediamine diacetate
Molecular formula:
C25H50N2O4
IUPAC Name:
C18:2 propylenediamine diacetate
Constituent 18
Chemical structure
Reference substance name:
C18:2 tetrapropylene pentaamine pentaacetate
Molecular formula:
C40H83N5O10
IUPAC Name:
C18:2 tetrapropylene pentaamine pentaacetate
Constituent 19
Reference substance name:
unknown impurity 01
Molecular formula:
NYA
IUPAC Name:
unknown impurity 01
Constituent 20
Reference substance name:
unknown impurity 02
Molecular formula:
NYA
IUPAC Name:
unknown impurity 02
Constituent 21
Reference substance name:
unknown impurity 03
Molecular formula:
NYA
IUPAC Name:
unknown impurity 03
Constituent 22
Reference substance name:
unknown impurity 04
Molecular formula:
NA
IUPAC Name:
unknown impurity 04
Constituent 23
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
CAS Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water
Constituent 24
Chemical structure
Reference substance name:
Propan-2-ol
EC Number:
200-661-7
EC Name:
Propan-2-ol
CAS Number:
67-63-0
Molecular formula:
C3H8O
IUPAC Name:
propan-2-ol
Constituent 25
Chemical structure
Reference substance name:
Acetic acid
EC Number:
200-580-7
EC Name:
Acetic acid
CAS Number:
64-19-7
Molecular formula:
C2H4O2
IUPAC Name:
acetic acid


Constituent 1
Chemical structure
Reference substance name:
C18:1 tripropylenetetraamine tetraacetate
Molecular formula:
C35H74N4O8
IUPAC Name:
C18:1 tripropylenetetraamine tetraacetate
Constituent 2
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-octadecylpropane-1,3-diaminium triacetate
Molecular formula:
C30H65N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-octadecylpropane-1,3-diaminium triacetate
Constituent 3
Chemical structure
Reference substance name:
C18:1 dipropylenetriamine triacetate
Molecular formula:
C30H63N3O6
IUPAC Name:
C18:1 dipropylenetriamine triacetate
Constituent 4
Chemical structure
Reference substance name:
N-octadecylpropane-1,3-diaminium diacetate
Molecular formula:
C25H54N2O4
IUPAC Name:
N-octadecylpropane-1,3-diaminium diacetate
Constituent 5
Chemical structure
Reference substance name:
C18:1 tetrapropylene pentaamine pentaacetate
Molecular formula:
C40H85N5O10
IUPAC Name:
C18:1 tetrapropylene pentaamine pentaacetate
Constituent 6
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-(hexadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Molecular formula:
C33H72N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-(hexadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Constituent 7
Chemical structure
Reference substance name:
C18:1 propylenediamine diacetate
Molecular formula:
C25H52N2O4
IUPAC Name:
C18:1 propylenediamine diacetate
Constituent 8
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-hexadecylpropane-1,3-diaminium triacetate
Molecular formula:
C28H61N3O6
IUPAC Name:
N-(3-ammoniopropyl)-N'-hexadecylpropane-1,3-diaminium triacetate
Constituent 9
Chemical structure
Reference substance name:
Octadecylammonium acetate
EC Number:
218-583-7
EC Name:
Octadecylammonium acetate
CAS Number:
2190-04-7
Molecular formula:
C20H43NO2
IUPAC Name:
octadecan-1-aminium acetate
Constituent 10
Chemical structure
Reference substance name:
C18:1 amine acetate
Molecular formula:
C20H41NO2
IUPAC Name:
C18:1 amine acetate
Constituent 11
Chemical structure
Reference substance name:
Hexadecylammonium acetate
EC Number:
217-954-0
EC Name:
Hexadecylammonium acetate
CAS Number:
2016-52-6
Molecular formula:
C18H39NO2
IUPAC Name:
hexadecan-1-aminium acetate
Constituent 12
Chemical structure
Reference substance name:
N-hexadecylpropane-1,3-diaminium diacetate
Molecular formula:
C23H50N2O4
IUPAC Name:
N-hexadecylpropane-1,3-diaminium diacetate
Constituent 13
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-(3-{[3-(octadecylammonio)propyl]ammonio}propyl)propane-1,3-diaminium pentaacetate
Molecular formula:
C40H87N5O10
IUPAC Name:
N-(3-ammoniopropyl)-N'-(3-{[3-(octadecylammonio)propyl]ammonio}propyl)propane-1,3-diaminium pentaacetate
Constituent 14
Chemical structure
Reference substance name:
N-(3-ammoniopropyl)-N'-[3-(octadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Molecular formula:
C35H76N4O8
IUPAC Name:
N-(3-ammoniopropyl)-N'-[3-(octadecylammonio)propyl]propane-1,3-diaminium tetraacetate
Constituent 15
Chemical structure
Reference substance name:
C18:2 amine acetate
Molecular formula:
C20H39NO2
IUPAC Name:
C18:2 amine acetate
Constituent 16
Chemical structure
Reference substance name:
C18:2 dipropylenetriamine triacetate
Molecular formula:
C30H61N3O6
IUPAC Name:
C18:2 dipropylenetriamine triacetate
Constituent 17
Chemical structure
Reference substance name:
C18:2 propylenediamine diacetate
Molecular formula:
C25H50N2O4
IUPAC Name:
C18:2 propylenediamine diacetate
Constituent 18
Chemical structure
Reference substance name:
C18:2 tetrapropylene pentaamine pentaacetate
Molecular formula:
C40H83N5O10
IUPAC Name:
C18:2 tetrapropylene pentaamine pentaacetate
Constituent 19
Reference substance name:
unknown impurity 01
Molecular formula:
NYA
IUPAC Name:
unknown impurity 01
Constituent 20
Reference substance name:
unknown impurity 02
Molecular formula:
NYA
IUPAC Name:
unknown impurity 02
Constituent 21
Reference substance name:
unknown impurity 03
Molecular formula:
NYA
IUPAC Name:
unknown impurity 03
Constituent 22
Reference substance name:
unknown impurity 04
Molecular formula:
NA
IUPAC Name:
unknown impurity 04
Constituent 23
Reference substance name:
Unreacted C18, C16 (saturated and unsaturated) polypropylene amine derivatives
IUPAC Name:
Unreacted C18, C16 (saturated and unsaturated) polypropylene amine derivatives
Constituent 24
Chemical structure
Reference substance name:
Water
EC Number:
231-791-2
EC Name:
Water
CAS Number:
7732-18-5
Molecular formula:
H2O
IUPAC Name:
water
Constituent 25
Chemical structure
Reference substance name:
Propan-2-ol
EC Number:
200-661-7
EC Name:
Propan-2-ol
CAS Number:
67-63-0
Molecular formula:
C3H8O
IUPAC Name:
propan-2-ol

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