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CAS No.: | 34834-67-8 |
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Name: | 3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one |
Article Data: | 7 |
Molecular Structure: | |
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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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
1. | mic-uns 9.8 mg/L/12H | MUREAV Mutation Research. 492 (2001),13. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
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 .