Cotinine

Names

[ CAS No. ]:
486-56-6

[ Name ]:
Cotinine

[Synonym ]:
(S)-Cotinine
(5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
(5S)-1-Methyl-5-(pyridin-3-yl)pyrrolidin-2-on
T6NJ C- ET5NVTJ A1 &&S Form
L-COTININE
cotinine
(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
(S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
(-)-Cotinine,(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
(−)-Cotinine
2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5S)-
(S)-1-Methyl-5-(3-pyridyl)-2-pyrrolidinone
(-)-Cotinine
S-(-)-Cotinine
MFCD00077696
(S)-N-Methyl-2-(3-pyridyl)-5-pyrrolidone
Bifemelane hydrochloride
EINECS 207-634-9
CREATINE ETHYL ESTER ANALYSIS KIT

Biological Activity

[Description]:

Cotinine is an alkaloid found in tobacco and is also the predominant metabolite of nicotine, used as a biomarker for exposure to tobacco smoke.

[Related Catalog]:

Research Areas >> Others

Natural Products >> Alkaloid

[Target]

Human Endogenous Metabolite

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
316.0±0.0 °C at 760 mmHg

[ Melting Point ]:
40-42ºC

[ Molecular Formula ]:
C₁₀H₁₂N₂O

[ Molecular Weight ]:
176.215

[ Flash Point ]:
166.7±25.9 °C

[ Exact Mass ]:
176.094955

[ PSA ]:
33.20000

[ LogP ]:
-0.23

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.556

[ Storage condition ]:
2-8°C

[ Stability ]:
Stable. Incompatible with strong oxidizing agents. May be heat sensitive - store cold.

[ Water Solubility ]:
Not miscible or difficult to mix in water. Soluble in dimethyl sulfoxide (100 mM), ethanol (50 mg/ml, yielding a clear, faint yellow to yellow solution), methanol and chloroform.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GN1925500

CHEMICAL NAME :: Cotinine

CAS REGISTRY NUMBER :: 486-56-6

BEILSTEIN REFERENCE NO. :: 0083099

LAST UPDATED :: 199709

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H12-N2-O

MOLECULAR WEIGHT :: 176.24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1604 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 137,313,1962

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 930 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - excitement Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 137,313,1962

Safety Information

[ Symbol ]:

GHS02, GHS06, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H301 + H311 + H331-H370

[ Precautionary Statements ]:
P210-P260-P280-P301 + P310-P311

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;Xi: Irritant;

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S36/37

[ RIDADR ]:
UN 1230 3/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
GN1925500

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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