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Density

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Reference
Endpoint:
density, other
Remarks:
density
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13-03-2018 – 13-03-2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Experimental test result performed using standard test guidelines
Qualifier:
according to guideline
Guideline:
OECD Guideline 109 (Density of Liquids and Solids)
Principles of method if other than guideline:
The density of Test item Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride (CAS No. 78181-99-4 ) was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014/OECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]/ OECD guideline 109 and according to the method adapted from ASTM D 854-02.
GLP compliance:
no
Type of method:
pycnometer method
Specific details on test material used for the study:
- Name of test material : Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride- Molecular formula : C35H46ClN5O4- Molecular weight : 636.232 g/mol- Smiles notation : C(CCOC(\C(=C\c1ccc(cc1)N(CC)CC)C#N)=O)[N+](C)(C)CCOC(\C(=C\c1ccc(cc1)N(CC)CC)C#N)=O.[ClH-]- InChl : 1S/C35H46N5O4.ClH/c1-7-38(8-2)32-16-12-28(13-17-32)24-30(26-36)34(41)43-22-11-20-40(5,6)21-23-44-35(42)31(27-37)25-29-14-18-33(19-15-29)39(9-3)10-4;/h12-19,24-25H,7-11,20-23H2,1-6H3;1H/q+1;/p-1/b30-24+,31-25+;- Substance type: Organic- Physical state: Liquid
Key result
Type:
density
Density:
1.129 g/cm³
Temp.:
20 °C
Remarks on result:
other: At 974.15 hPa.

Observations:

Test temperature (°C)

20°C

20°C

Atmospheric pressure (in hPa)

974.5 hPa

973.8 hPa

Weight of dry pycnometer (g)

(W1) 29.368 g

30.911 g

Weight of pycnometer + water (g)

(W2) 78.508 g

80.611 g

Weight of pycnometer + test substance (g)

(W3) 84.762 g

87.363 g

Conclusions:
The density of test item Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride(CAS No. 78181-99-4) was determined following OECD Guideline 109 and according to the IS 4730 : 1994 (Reaffirmed 2010) – Method for Determination of Density of Liquids (First Revision) using pyknometer .The mean density of test item was determine to be 1.1293 g/cm³ at 20°C and 974.15 hPa.
Executive summary:

The density of Test item Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride (CAS No. 78181-99-4 ) was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014/OECD guideline 109 and according to the Indian standard

method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]/ OECD guideline 109 and according to the method adapted from ASTM D 854-02. The mean density of the test item was determine to be 1.1293 g/cm³ at 20°C and 974.15 hPa.

Description of key information

The density of Test item Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014/OECD guideline 109 and according to the Indian standard method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]/ OECD guideline 109 and according to the method adapted from ASTM D 854-02. The mean density of the test item was determine to be 1.1293 g/cm³ at 20°C and 974.15 hPa.

Key value for chemical safety assessment

Relative density at 20C:
1.129

Additional information

The density of Test item Reaction mass of 1-​Propanaminium, 3-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​-​N-​[2-​[[2-​cyano-​3-​[4-​(diethylamino)​phenyl]​-​1-​oxo-​2-​propen-​1-​yl]​oxy]​ethyl]​-​N,​N-​dimethyl-​ & chloride was determined following OECD guideline 109 and according to the method recommended in the International Pharmacopoeia, fourth Edition, 2014/OECD guideline 109 and according to the Indian standard

method for determination of density of liquids [IS 4730:1994 (Reaffirmed 2010)]/ OECD guideline 109 and according to the method adapted from ASTM D 854-02. The mean density of the test item was determine to be 1.1293 g/cm³ at 20°C and 974.15 hPa.