CAS Number486-56-6
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; (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
Molecular FormulaC10H12N2O
Molecular Weight176.22
Purity98.00%
Density1.1±0.1 g/cm3
Boiling Point316.0±0.0 °C at 760 mmHg
Melting Point40-42ºC
Appearanceliquid
EINECS200-659-6
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 486-56-6 |
| Catalog No. | 2A-1174024 |
| Chinese Name | 吡啶吡咯酮 |
| 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; (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 |
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.22 |
| Purity | 98.00 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 316.0±0.0 °C at 760 mmHg |
| Melting Point | 40-42ºC |
| Appearance | liquid |
| Water Solubility | Not miscible or difficult to mix in water. Soluble |
| Storage Condition | 2-8°C Store in a sealed container in a ventilated |
| Application | Cotinine is an alkaloid in tobacco and the main metabolite of nicotine, used as a biological indicator to measure the composition of tobacco smoke. |
| EINECS | 200-659-6 |
| HTC | 2933990090 |
| PubChem ID | 329774764 |
| MDL Number | MFCD00077696 |
| SMILES | CN1C(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 |
| InChI Key | UIKROCXWUNQSPJ-VIFPVBQESA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | transportation |
| MSDS | msds/174426_1_486_56_6.pdf |
| Bioactivity | 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 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. |
| Use of | Cotinine is an alkaloid found in tobacco and is also the predominant metabolite of nicotine, used as a biomarker for exposure to tobacco smoke. Properties Articles93 Name (-)-cotinine Synonym More Synonyms Cotinine 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 Human Endogenous Metabolite Chemical & Physical Properties Molecular Formula C10H12N2O Exact Mass 176.094955 PSA 33.20000 LogP -0.23 Index of Refraction 1.556 InChIKey UIKROCXWUNQSPJ-VIFPVBQESA-N Stability Stable. Incompatible with strong oxidizing agents. May be heat sensitive - store cold. |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Danger Regulations: 1230 International Maritime Transport Danger Regulations: 1230 International Air Transport Danger Regulations: 1230 14.2 United Nations shipping name European Land Transport Dangerous Regulations: METHANOL, solution IMDG Code: METHANOL, solution IFRS: Methanol, solution 14.3 Transport hazard categories European land transport risk code: 3 (6.1) International sea transport risk code: 3 (6.1) International air transport risk code: 3 (6.1) 14.4 Package group European Dangerous Regulations for land transport: II International Dangerous Regulations for sea transport: II International Dangerous Regulations for air transport: II 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available |
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