CAS Registry Number®
486-56-6
CAS Name
Cotinine
Molecular Formula
C10H12N2O
Molecular Mass
176.22
Compound Properties
-
Boiling Point (1)
250 °C
-
Melting Point (1)
41 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
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
SMILES
CN1[C@@H](CCC1=O)C=2C=CC=NC2
Canonical SMILES
O=C1N(C)C(C=2C=NC=CC2)CC1
Other Names for this Substance
- 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-
- Cotinine
- 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-
- (5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
- (-)-Cotinine
- S-(-)-Cotinine
- (S)-Cotinine
- NIH 10498
- (5S)-1-Methyl-5-pyridin-3-ylpyrrolidin-2-one
- MeSH ID: D003367
Deleted or Replaced CAS Registry Numbers
318-36-5
