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Identification

Chemical structure
Display Name:
2-oxo-N-(3,3,5-trimethyl-5-{[2,4,6-trioxo-3,5-bis({1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl}methyl)-1,3,5-triazinan-1-yl]methyl}cyclohexyl)azepane-1-carboxamide; 2-oxo-N-(3,3,5-trimethyl-5-{[2,4,6-trioxo-3-({1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl}methyl)-5-({1,3,3-trimethyl-5-[2,4,6-trioxo-3,5-bis(3,3,5-trimethyl-5-{[(2-oxoazepane-1-carbonyl)amino]methyl}cyclohexyl)-1,3,5-triazinan-1-yl]cyclohexyl}methyl)-1,3,5-triazinan-1-yl]methyl}cyclohexyl)azepane-1-carboxamide
EC Number:
603-188-8
CAS Number:
127184-53-6
Molecular formula:
Exact identification is not feasible
IUPAC Name:
2-oxo-N-(3,3,5-trimethyl-5-{[2,4,6-trioxo-3,5-bis({1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl}methyl)-1,3,5-triazinan-1-yl]methyl}cyclohexyl)azepane-1-carboxamide; 2-oxo-N-(3,3,5-trimethyl-5-{[2,4,6-trioxo-3-({1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl}methyl)-5-({1,3,3-trimethyl-5-[2,4,6-trioxo-3,5-bis(3,3,5-trimethyl-5-{[(2-oxoazepane-1-carbonyl)amino]methyl}cyclohexyl)-1,3,5-triazinan-1-yl]cyclohexyl}methyl)-1,3,5-triazinan-1-yl]methyl}cyclohexyl)azepane-1-carboxamide

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers open all close all

  • Desmodur VP LS 2078/2
  • Compositions

    Boundary Composition(s) open all close all

    State Form:
    solid: bulk


    Constituent 1
    Chemical structure
    Reference substance name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=3, blocked with hexahydro-2H-azepin-2-one
    Molecular formula:
    C54 H87 N9 O9
    IUPAC Name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=3, blocked with hexahydro-2H-azepin-2-one
    Constituent 2
    Chemical structure
    Reference substance name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=5, blocked with hexahydro-2H-azepin-2-one
    Molecular formula:
    C84 H134 N14 O14
    IUPAC Name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=5, blocked with hexahydro-2H-azepin-2-one
    Constituent 3
    Reference substance name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=7 or higher, blocked with hexahydro-2H-azepin-2-one
    Molecular formula:
    >= C114 H181 N19 O19
    IUPAC Name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=7 or higher, blocked with hexahydro-2H-azepin-2-one
    Constituent 4
    Chemical structure
    Reference substance name:
    ε-caprolactam
    EC Number:
    203-313-2
    EC Name:
    ε-caprolactam
    CAS Number:
    105-60-2
    Molecular formula:
    C6H11NO
    IUPAC Name:
    azepan-2-one
    Constituent 5
    Chemical structure
    Reference substance name:
    Hexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepine-1-carboxamide
    EC Number:
    259-920-8
    EC Name:
    Hexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepine-1-carboxamide
    CAS Number:
    55954-19-3
    Molecular formula:
    C24 H40 N4 O4
    IUPAC Name:
    N-[3-[[[(Hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo-1H-azepine-1-carboxamide

    Legal Entity Composition(s) open all close all

    State Form:
    solid: bulk


    Constituent 1
    Chemical structure
    Reference substance name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=3, blocked with hexahydro-2H-azepin-2-one
    Molecular formula:
    C54 H87 N9 O9
    IUPAC Name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=3, blocked with hexahydro-2H-azepin-2-one
    Constituent 2
    Chemical structure
    Reference substance name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=5, blocked with hexahydro-2H-azepin-2-one
    Molecular formula:
    C84 H134 N14 O14
    IUPAC Name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=5, blocked with hexahydro-2H-azepin-2-one
    Constituent 3
    Reference substance name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=7 or higher, blocked with hexahydro-2H-azepin-2-one
    Molecular formula:
    >= C114 H181 N19 O19
    IUPAC Name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=7 or higher, blocked with hexahydro-2H-azepin-2-one
    Constituent 4
    Chemical structure
    Reference substance name:
    ε-caprolactam
    EC Number:
    203-313-2
    EC Name:
    ε-caprolactam
    CAS Number:
    105-60-2
    Molecular formula:
    C6H11NO
    IUPAC Name:
    azepan-2-one
    Constituent 5
    Chemical structure
    Reference substance name:
    Hexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepine-1-carboxamide
    EC Number:
    259-920-8
    EC Name:
    Hexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepine-1-carboxamide
    CAS Number:
    55954-19-3
    Molecular formula:
    C24 H40 N4 O4
    IUPAC Name:
    N-[3-[[[(Hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo-1H-azepine-1-carboxamide
    State Form:
    solid: particulate/powder


    Constituent 1
    Chemical structure
    Reference substance name:
    N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide]
    EC Number:
    273-482-5
    EC Name:
    N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide]
    CAS Number:
    68975-83-7
    Molecular formula:
    C54H87N9O9
    IUPAC Name:
    N,N',N''-[(2,4,6-trioxo-1,3,5-triazinane-1,3,5-triyl)tris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]]tris(2-oxoazepane-1-carboxamide)
    Constituent 2
    Chemical structure
    Reference substance name:
    2-oxo-N-[3,3,5-trimethyl-5-({2,4,6-trioxo-3-[3,3,5-trimethyl-5-({2,4,6-trioxo-3,5-bis[(1,3,3-trimethyl-5-{[(2-oxoazepan-1-yl)carbonyl]amino}cyclohexyl)methyl]-1,3,5-triazinan-1-yl}methyl)cyclohexyl]-5-[(1,3,3-trimethyl-5-{[(2-oxoazepan-1-yl)carbonyl]amino}cyclohexyl)methyl]-1,3,5-triazinan-1-yl}methyl)cyclohexyl]azepane-1-carboxamide
    Molecular formula:
    C84H134N14O14
    IUPAC Name:
    2-oxo-N-[3,3,5-trimethyl-5-({2,4,6-trioxo-3-[3,3,5-trimethyl-5-({2,4,6-trioxo-3,5-bis[(1,3,3-trimethyl-5-{[(2-oxoazepan-1-yl)carbonyl]amino}cyclohexyl)methyl]-1,3,5-triazinan-1-yl}methyl)cyclohexyl]-5-[(1,3,3-trimethyl-5-{[(2-oxoazepan-1-yl)carbonyl]amino}cyclohexyl)methyl]-1,3,5-triazinan-1-yl}methyl)cyclohexyl]azepane-1-carboxamide
    Constituent 3
    Chemical structure
    Reference substance name:
    2-oxo-N-[3,3,5-trimethyl-5-({2,4,6-trioxo-3-[3,3,5-trimethyl-5-({2,4,6-trioxo-3-[(1,3,3-trimethyl-5-{2,4,6-trioxo-3,5-bis[(1,3,3-trimethyl-5-{[(2-oxoazepan-1-yl)carbonyl]amino}cyclohexyl)methyl]-1,3,5-triazinan-1-yl}cyclohexyl)methyl]-5-[(1,3,3-trimethyl-5-{[(2-oxoazepan-1-yl)carbonyl]amino}cyclohexyl)methyl]-1,3,5-triazinan-1-yl}methyl)cyclohexyl]-5-[(1,3,3-trimethyl-5-{[(2-oxoazepan-1-yl)carbonyl]amino}cyclohexyl)methyl]-1,3,5-triazinan-1-yl}methyl)cyclohexyl]azepane-1-carboxamide
    Molecular formula:
    >= C114H181N19O19 (IPDI-Isocyanurate n=3, caprolactam-blocked)
    IUPAC Name:
    2-oxo-N-[3,3,5-trimethyl-5-({2,4,6-trioxo-3-[3,3,5-trimethyl-5-({2,4,6-trioxo-3-[(1,3,3-trimethyl-5-{2,4,6-trioxo-3,5-bis[(1,3,3-trimethyl-5-{[(2-oxoazepan-1-yl)carbonyl]amino}cyclohexyl)methyl]-1,3,5-triazinan-1-yl}cyclohexyl)methyl]-5-[(1,3,3-trimethyl-5-{[(2-oxoazepan-1-yl)carbonyl]amino}cyclohexyl)methyl]-1,3,5-triazinan-1-yl}methyl)cyclohexyl]-5-[(1,3,3-trimethyl-5-{[(2-oxoazepan-1-yl)carbonyl]amino}cyclohexyl)methyl]-1,3,5-triazinan-1-yl}methyl)cyclohexyl]azepane-1-carboxamide
    Constituent 4
    Chemical structure
    Reference substance name:
    Hexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepine-1-carboxamide
    EC Number:
    259-920-8
    EC Name:
    Hexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepine-1-carboxamide
    CAS Number:
    55954-19-3
    Molecular formula:
    C24 H40 N4 O4
    IUPAC Name:
    N-[3-[[[(Hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo-1H-azepine-1-carboxamide
    Constituent 5
    Chemical structure
    Reference substance name:
    ε-caprolactam
    EC Number:
    203-313-2
    EC Name:
    ε-caprolactam
    CAS Number:
    105-60-2
    Molecular formula:
    C6H11NO
    IUPAC Name:
    azepan-2-one
    Constituent 6
    Chemical structure
    Reference substance name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
    EC Number:
    223-861-6
    EC Name:
    3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
    CAS Number:
    4098-71-9
    Molecular formula:
    C12H18N2O2
    IUPAC Name:
    5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane

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