Description
(−)-Cotinine, analytical standard
Synonym(s):
(S)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone, S(−)-1-Methyl-5-(3-pyridyl)-2-pyrrolidone
Empirical Formula (Hill Notation):
C10H12N2O
CAS Number:
486-56-6
Molecular Weight:
176.22
Beilstein:
83099
EC Number:
207-634-9
MDL number:
MFCD00077696
PubChem Substance ID:
329764948
PROPERTIES
InChI key
UIKROCXWUNQSPJ-VIFPVBQESA-N
grade
analytical standard
Quality Level
100
Assay
≥98.5% (GC)
optical activity
[α]/D -21±2°, c = 1 in ethanol
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable
gas chromatography (GC): suitable
bp
250 °C/150 mmHg (lit.)
mp
40-42 °C (lit.)
format
neat
storage temp.
2-8°C
SMILES string
CN1[C@@H](CCC1=O)c2cccnc2
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
Biochem/physiol Actions
Major metabolite of nicotine in humans.
SAFETY INFORMATION
Pictograms
GHS07
Signal Word
Warning
Hazard Statements
H302 - H315 - H319 - H335
Precautionary Statements
P261 - P264 - P270 - P301 + P312 - P302 + P352 - P305 + P351 + P338
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
230.0 °F - closed cup
Flash Point(C)
110 °C - closed cup