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33631-47-9

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Basic Information
CAS No.: 33631-47-9
Name: N-(2-hydroxyethyl)retinamide
Article Data: 3
Molecular Structure:
Molecular Structure of 33631-47-9 (N-(2-hydroxyethyl)retinamide)
Formula: C22H33 N O2
Molecular Weight: 343.51
Synonyms: 2-Hydroxyethylretinamide;N-(2-Hydroxyethyl)retinamide; Retinoic acid 2-hydroxyethylamide; Ro 8-4969
Density: 1.013g/cm3
Boiling Point: 549.1°Cat760mmHg
Flash Point: 285.9°C
Safety: Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
PSA: 52.82000
LogP: 5.46680
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Chemistry

Molecule structure of Retinoic acid 2-hydroxyethylamide (CAS NO.33631-47-9):

IUPAC Name: (2E,4E,6E,8E)-N-(2-Hydroxyethyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide 
Molecular Weight: 343.50292 g/mol
Molecular Formula: C22H33NO2 
Density: 1.013 g/cm3 
Boiling Point: 549.1 °C at 760 mmHg 
Flash Point: 285.9 °C
Index of Refraction: 1.552
Molar Refractivity: 108.38 cm3
Molar Volume: 338.9 cm3
Polarizability: 42.96×10-24 cm3
Surface Tension: 39.8 dyne/cm
Enthalpy of Vaporization: 95.28 kJ/mol
Vapour Pressure: 2.39E-14 mmHg at 25 °C
XLogP3: 5.4
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 7
Tautomer Count: 2
Exact Mass: 343.251129
MonoIsotopic Mass: 343.251129
Topological Polar Surface Area: 49.3
Heavy Atom Count: 25
Complexity: 616
Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NCCO)C)C
Isomeric SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NCCO)/C)/C
InChI: InChI=1S/C22H33NO2/c1-17(8-6-9-18(2)16-21(25)23-14-15-24)11-12-20-19(3)10-7-13-22(20,4)5/h6,8-9,11-12,16,24H,7,10,13-15H2,1-5H3,(H,23,25)/b9-6+,12-11+,17-8+,18-16+
InChIKey of Retinoic acid 2-hydroxyethylamide (CAS NO.33631-47-9): JOSHOGBFUULHNI-LYKFAKFTSA-N

Safety Profile

Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Retinoic acid 2-hydroxyethylamide (CAS NO.33631-47-9) is also named as 2-Hydroxyethyl retinamide ; BRN 2161307 ; CCRIS 4284 ; HER ; Hydroxyethyl retinamide ; N-(2-Hydroxyethyl)retinamide ; N-2-Hydroxyethyl retinamide ; Ro 8-4969 .