Basic information
- Standard SMILES
C[NH2+][C@H](C)[C@@H](O)c1ccccc1- InChIKey
KWGRBVOPPLSCSI-PSASIEDQSA-O- Molecular formula
- C10H16NO+
- Average molar mass
- 166.24 g/mol
Overview
(1S,2R)-ephedrine(1+) is an organic cation obtained by protonation of the secondary amino function of (1S,2R)-ephedrine; major species at pH 7.3. It is an enantiomer of a (-)-ephedrinium.
Names & identifiers
- Preferred name
- (1S,2R)-(+)-ephedrine
- IUPAC
- [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
Names & synonyms
(1S,2R)-(+)-ephedrine[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium(1S,2R)-Ephedrine(+)-ephedrinium(1S,2R)-ephedrinium(1S,2R)-ephedrine(1+)BDBM36015CHEBI:149673KWGRBVOPPLSCSI-PSASIEDQSA-O(1S,2R)-1-hydroxy-N-methyl-1-phenylpropan-2-aminium
Database identifiers
- PubChem CID
- 6922967
- ChEBI
CHEBI:149673
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 1
- Complexity
- 121
Related reactions
1 records
Compound notes
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