(-)-COTININE

CAS No.
486-56-6 ;75202-09-4
CCD No.
CCD00049262
Formula
C10 H12 N2 O
MolWeight
176.218

Basic Information

Product Name: (-)-COTININE
CAS: 486-56-6 ;75202-09-4
English Synonyms: (-)-COTININE ; (S)-1-METHYL-5-(3-PYRIDYL)-2-PYRROLIDINONE ; (5S)-(-)-1-METHYL-2-OXO-5-(PYRIDIN-3-YL)PYRROLIDINE ; S-(-)-COTININE ; S(-)-1-METHYL-5-(3-PYRIDYL)-2-PYRROLIDONE ; 3-[(2S)-(-)-1-METHYL-5-OXOPYRROLIDIN-2-YL]PYRIDINE ; L-COTININE ; COTININE (-)- ; (S)-(-)-1-METHYL-5-(3-PYRIDYL)-2-PYRROLIDINONE ; NICOTINE IMPURITY C ; (5S)-1-METHYL-5-PYRIDIN-3-YLPYRROLIDIN-2-ONE ; (S)-1-METHYL-5-PYRIDIN-3-YL-PYRROLIDIN-2-ONE ; COTININE ; (5S)-(-)-1-METHYL-5-(PYRIDIN-3-YL)PYRROLIDIN-2-ONE
MDL Number.: MFCD00077696
H bond acceptor: 3
H bond donor: 0
Smile: CN1[C@@H](CCC1=O)c2cccnc2
InChi: InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
InChiKey: InChIKey=UIKROCXWUNQSPJ-VIFPVBQESA-N

Property

Melting Point: 40-42 DEG C(LIT)
Boiling Point: 250 DEG C/150 MMHG(LIT)
Physical Property: FLASHPOINT: 110 DEG C
FLASHPOINT: 230 DEG F
Comments: BIOCHEM/PHYSIOL ACTIONS: MAJOR METABOLITE OF NICOTINE IN HUMANS
OPTICAL ACTIVITY: [ALPHA]20/D -21 DEG, C = 1 IN ETHANOL
RTECS: GN1925500
WGK: 3
Concentration: 1.0mg/mL±5%inmethanol

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xn
Risk Code: R:22-36/37/38
Safe Code: S:26-36
WGK Germany: 3

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