((2R,5S)-5-((benzylamino)methyl)-1-methylpyrrolidin-2-yl)methanol
Basic information
- CAS
950916-49-1- Standard SMILES
CN1[C@@H](CO)CC[C@H]1CNCc1ccccc1- InChIKey
BFBGNELPAWADKK-UONOGXRCSA-N- Molecular formula
- C14H22N2O
- Average molar mass
- 234.34 g/mol
Names & identifiers
- Preferred name
- ((2R,5S)-5-((benzylamino)methyl)-1-methylpyrrolidin-2-yl)methanol
- IUPAC
- [(2R,5S)-5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol
- English name
- (2R,5S)-rel-1-methyl-5-[[(phenylmethyl)amino]methyl]-2-Pyrrolidinemethanol
- Molecular formula
- C14H22N2O
- Molecular weight
- 234.34
Names & synonyms
950916-49-1((2R,5S)-5-((benzylamino)methyl)-1-methylpyrrolidin-2-yl)methanol[(2R,5S)-5-[(benzylamino)methyl]-1-methylpyrrolidin-2-yl]methanol((2R,5S)-rel-5-((Benzylamino)methyl)-1-methylpyrrolidin-2-yl)methanol(2R,5S)-rel-1-methyl-5-[[(phenylmethyl)amino]methyl]-2-Pyrrolidinemethanol2-Pyrrolidinemethanol, 1-methyl-5-[[(phenylmethyl)amino]methyl]-, (2R,5S)-rel-
Database identifiers
- CAS
950916-49-1
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 223 · 223-226 °C
- Boiling point
- 353.5 · 353.5±12.0 °C(Predicted)
- Density
- 1.039 · 1.039±0.06 g/cm3(Predicted)
- pka
- 14.77 · 14.77±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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