2-(1-Benzylpyrrolidin-3-yl)propan-2-ol
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Basic information
- CAS
351370-67-7- Standard SMILES
CC(C)(O)C1CCN(Cc2ccccc2)C1- InChIKey
BESBVPBWOJMGFI-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- 2-(1-Benzylpyrrolidin-3-yl)propan-2-ol
- IUPAC
- 2-(1-benzylpyrrolidin-3-yl)propan-2-ol
- English name
- 2-(1-Benzyl-pyrrolidin-3-yl)-propan-2-ol
- Molecular formula
- C14H21NO
- Molecular weight
- 219.32
Names & synonyms
2-(1-benzylpyrrolidin-3-yl)propan-2-ol351370-67-72-(1-BENZYL-PYRROLIDIN-3-YL)-PROPAN-2-OLSCHEMBL2485710DTXSID60426005BESBVPBWOJMGFI-UHFFFAOYSA-NMFCD06858467DA-06539G105523-Pyrrolidinemethanol, α,α-dimethyl-1-(phenylmethyl)-3-Pyrrolidinemethanol, a,a-dimethyl-1-(phenylmethyl)-
Database identifiers
- CAS
351370-67-7- PubChem CID
- 6914764
- DTXSID
DTXSID60426005
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 296.5 · 296.5±15.0 °C(Predicted)
- Density
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- pka
- 15.07 · 15.07±0.29(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
1 records
Compound notes
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