Basic information
- CAS
1824020-12-3- Standard SMILES
CN1CCCC1(O)c1cccnc1- InChIKey
BOQRPPFUUSHFGW-UHFFFAOYSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- 2-Pyrrolidinol, 1-methyl-2-(3-pyridinyl)-
- IUPAC
- 1-methyl-2-pyridin-3-ylpyrrolidin-2-ol
- English name
- 2-Pyrrolidinol, 1-methyl-2-(3-pyridinyl)-
- Molecular formula
- C10H14N2O
- Molecular weight
- 178.23
Names & synonyms
1824020-12-3RefChem:2667762-Pyrrolidinol, 1-methyl-2-(3-pyridinyl)-1-methyl-2-(pyridin-3-yl)pyrrolidin-2-ol2a(2)-HydroxynicotineSCHEMBL16206523DTXSID901271271Nicotine Impurity 7
Database identifiers
- CAS
1824020-12-3- PubChem CID
- 432
- DTXSID
DTXSID901271271- Nikkaji
- J2.290.588K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 301.6 · 301.6±42.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- 12.6 · 12.60±0.20(Predicted)
Chemistry & industry
Pharmacology
Metabolism/Metabolites2'-Hydroxynicotine is a known thirdhand smoke metabolite of Nicotine.
Suppliers2 total
河南誉康卓宁进出口有限公司13393721940 · [email protected]
ShenZhen H&D Pharmaceutical Technology Co., LTD+86-18627948422 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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