486-56-6
486-56-6 structure
- Name: Cotinine
- Chemical Name: (-)-cotinine
- CAS Number: 486-56-6
- Molecular Formula: C10H12N2O
- Molecular Weight: 176.215
- Catalog: analytical chemistry Standard Forensic and veterinary standards
- Create Date: 2018-06-26 23:12:06
- Modify Date: 2024-01-02 17:14:05
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Cotinine is an alkaloid found in tobacco and is also the predominant metabolite of nicotine, used as a biomarker for exposure to tobacco smoke.
| Name | (-)-cotinine |
|---|---|
| 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 |
| 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 | |
| Target |
Human Endogenous Metabolite |
| 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. |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
| 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 |
|
~44%
486-56-6 |
| Literature: Synlett, , # 9 p. 1413 - 1416 |
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~%
486-56-6 |
| Literature: Journal of Medicinal Chemistry, , vol. 23, # 8 p. 960 - 962 |
|
~50%
486-56-6 |
| Literature: Pharmazie, , vol. 64, # 4 p. 219 - 226 |
|
~28%
486-56-6
Detail
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| Literature: Journal of Labelled Compounds and Radiopharmaceuticals, , vol. 42, # 4 p. 387 - 407 |
|
~%
486-56-6 |
| Literature: Journal of the American Chemical Society, , vol. 81, p. 3951,3954 |
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~%
486-56-6 |
| Literature: Archives of Biochemistry, , vol. 79, p. 124,127 |
| Precursor 4 | |
|---|---|
| DownStream 7 | |
![3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine,perchloric acid,perchlorate structure](https://image.chemsrc.com/caspic/224/71014-67-0.png)
| 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% |