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34834-67-8

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Basic Information
CAS No.: 34834-67-8
Name: 3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
Article Data: 7
Molecular Structure:
Molecular Structure of 34834-67-8 (3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one)
Formula: C10H12 N2 O2
Molecular Weight: 192.217
Synonyms: 2-Pyrrolidinone,3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3R-trans)-; Cotinine, hydroxy- (6CI); (3S-trans)-3-Hydroxycotinine;(3'R,5'S)-3'-Hydroxycotinine; Hydroxycotinine;trans-1-Methyl-3(R)-hydroxy-5(S)-3-pyridyl-2-pyrrolidinone;trans-3'-Hydroxycotinine
Density: 1.275g/cm3
Melting Point: 107-109°C
Boiling Point: 416.5°Cat760mmHg
Flash Point: 205.7°C
Hazard Symbols: F,T
Risk Codes: 11-23/24/25-39/23/24/25
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 53.43000
LogP: 0.28360
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Chemistry

Product Name: trans-3'-Hydroxycotinine (CAS NO.34834-67-8)


Molecular Formula: C10H12N2O2
Molecular Weight: 192.22g/mol
Mol File: 34834-67-8.mol
Boiling point: 416.5 °C at 760 mmHg
Flash Point: 205.7 °C
Density: 1.275 g/cm3
Surface Tension: 57.2 dyne/cm
Enthalpy of Vaporization: 70.61 kJ/mol
Vapour Pressure: 1.11E-07 mmHg at 25°C
XLogP3-AA: -0.9
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Tautomer Count: 4
Topological Polar Surface Area: 53.4
Heavy Atom Count: 14
Complexity: 232

Toxicity Data With Reference

1.    

mic-uns 9.8 mg/L/12H

     MUREAV    Mutation Research. 492 (2001),13.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

 trans-3'-Hydroxycotinine,its CAS NO. is 34834-67-8,the synonyms is 3-Hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one ; Hydroxycotinine ; (3R,5S)-1-Methyl-3-hydroxy-5-(3-pyridyl)pyrrolidine-2-one ; (3R,5S)-3-Hydroxy-1-methyl-5-(3-pyridinyl)pyrrolidin-2-one ; (3'R,5'S)-trans-3'-Hydroxynicotinine .