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

Density

Link to relevant study record(s)

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.