CAS 486-56-6|Cotinine

Introduction：Basic information about CAS 486-56-6|Cotinine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Cotinine BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles93
8. Synonyms

Common Name	Cotinine
CAS Number	486-56-6	Molecular Weight	176.215
Density	1.1±0.1 g/cm3	Boiling Point	316.0±0.0 °C at 760 mmHg
Molecular Formula	C₁₀H₁₂N₂O	Melting Point	40-42ºC
MSDS	ChineseUSA	Flash Point	166.7±25.9 °C
Symbol	GHS02, GHS06, GHS08	Signal Word	Danger

Names

Name	(-)-cotinine
Synonym	More Synonyms

Cotinine BiologicalActivity

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 >>OthersNatural Products >>Alkaloid
Target	Human Endogenous Metabolite

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
InChIKey	UIKROCXWUNQSPJ-VIFPVBQESA-N
SMILES	CN1C(=O)CCC1c1cccnc1
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.

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

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%

Articles93

Chemical genetics reveals a complex functional ground state of neural stem cells.

Nat. Chem. Biol. 3(5) , 268-273, (2007)

The identification of self-renewing and multipotent neural stem cells (NSCs) in the mammalian brain holds promise for the treatment of neurological diseases and has yielded new insight into brain canc...

Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs.

Eur. J. Med. Chem. 43 , 478-85, (2008)

Values of in vitro gas to lung partition coefficients, K(lung), of VOCs have been collected from the literature. For 44 VOCs, application of the Abraham solvation equation to log K(lung) yielded a cor...

Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum.

Nat. Chem. Biol. 5 , 765-71, (2009)

Studies of gene function and molecular mechanisms in Plasmodium falciparum are hampered by difficulties in characterizing and measuring phenotypic differences between individual parasites. We screened...

Synonyms

(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

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