Chemical Properties of Cotinine (CAS 486-56-6)

Cotinine

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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
InChI Key
UIKROCXWUNQSPJ-UHFFFAOYSA-N
Formula
C10H12N2O
SMILES
CN1C(=O)CCC1c1cccnc1
Molecular Weight1
176.22
CAS
486-56-6
Other Names
  • (-)-cotinine
  • (S)-cotinine
  • 1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
  • 1-methyl-5-(3-pyridinyl)-(S)-2-pyrrolidinone
  • 2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (S)-
  • S-(-)-Cotinine
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Physical Properties

Property Value Unit Source
log10WS -1.99 Crippen Calculated Property
logPoct/wat 1.375 Crippen Calculated Property
McVol 138.670 ml/mol McGowan Calculated Property
Inp [1678.00; 1740.00]   Show Hide
Inp 1716.00 NIST
Inp 1730.00 NIST
Inp 1740.00 NIST
Inp 1678.00 NIST
Tboil 619.20 K Vapor p...

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Pvap [14.95; 247.52] kPa [537.70; 669.70] Show Hide
Pvap 14.95 kPa 537.70 Vapor p...
Pvap 19.90 kPa 548.40 Vapor p...
Pvap 29.82 kPa 564.20 Vapor p...
Pvap 49.74 kPa 585.60 Vapor p...
Pvap 69.56 kPa 601.30 Vapor p...
Pvap 79.50 kPa 607.40 Vapor p...
Pvap 101.32 kPa 619.20 Vapor p...
Pvap 197.04 kPa 655.40 Vapor p...
Pvap 247.52 kPa 669.70 Vapor p...

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 523.20 K 20.00 NIST

Similar Compounds

Nornicotine, N-butanoyl. Nornicotine, N-octanoyl. Nornicotine, N-hexanoyl. Nornicotine, N-acetyl. Nornicotine, N-formyl. trans-3'-Hydroxycotinine, trimethylsilyl ether. 2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3R-trans)-. Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (S)-. Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, 1-oxide, (S)-. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. Sertraline, acetyl. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Quinine, trimethylsilyl ether. inosine-5'-monophosphate, TMS. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2.

Find more compounds similar to Cotinine.

Sources

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