Basic information
- Standard SMILES
C[NH2+][C@@H](C)[C@@H](O)c1ccccc1- InChIKey
KWGRBVOPPLSCSI-WCBMZHEXSA-O- Molecular formula
- C10H16NO+
- Average molar mass
- 166.24 g/mol
Overview
Pseudoephedrine(1+) is an organic cation obtained by protonation of the secondary amino function of pseudoephedrine. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a pseudoephedrine. It is an enantiomer of a (1R,2R)-pseudoephedrine(1+).
Names & identifiers
- Preferred name
- (1S,2S)-Pseudoephedrine
- IUPAC
- [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
Names & synonyms
(1S,2S)-PseudoephedrineRefChem:1049507pseudoephedrine(1+)[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium(1S,2S)-1-hydroxy-N-methyl-1-phenylpropan-2-aminiumpseudoephedrine cationBDBM36029CHEBI:132296KWGRBVOPPLSCSI-WCBMZHEXSA-OQ27225519
Database identifiers
- PubChem CID
- 6919175
- ChEBI
CHEBI:132296- Nikkaji
- J136.967I
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
Loading…