Basic information
- CAS
32162-64-4- Standard SMILES
CN1C(=O)CC[C@@H]1c1cccnc1- InChIKey
UIKROCXWUNQSPJ-SECBINFHSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Overview
(5R)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one has been reported in Nicotiana alata with data available.
Names & identifiers
- Preferred name
- R-(+)-Cotinine
- IUPAC
- (5R)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
- English name
- R-(+)-COTININE
- Molecular formula
- C10H12N2O
- Molecular weight
- 176.22
Names & synonyms
R-(+)-Cotinine32162-64-4(5R)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one(R)-1-Methyl-5-(pyridin-3-yl)pyrrolidin-2-oneCAS-486-56-6(5R)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-oneLopac-C-5923CHEMBL365343orb1982117SCHEMBL10899074SCHEMBL30478620HY-B1178A
Show more names
Ba 2701(R)-(+)-1-METHYL-5-(3-PYRIDIYL)-2-PYRROLIDINONE(5R)-(+)-1-Methyl-5-(3-pyridiyl)-2-pyrrolidinone2-Pyrrolidinone, 1-methyl-5-(3-pyridinyl)-, (5R)-
DTXSID401336690TNP00100EX-A11936MFCD03425536PDSP1_000114PDSP2_000114AKOS006277829NCGC00015249-01
Database identifiers
- CAS
32162-64-4- PubChem CID
- 21907
- DTXSID
DTXSID401336690- ChEMBL
CHEMBL365343- Nikkaji
- J651.992J
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 48 · 48-51°C
- Boiling point
- 145 · 145-150°C/3 mm
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.72 · 4.72±0.12(Predicted)
- color
- White to Off-White
- Stability
- Moisture, Temperature Sensitive - Seal tightly, Store in Freezer, Hygroscopic
Chemistry & industry
Applications
UsesThe R metabolite of Nicotine. This is the unnatural isomer of Cotinine. Carcinogen.
Suppliers15 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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