Basic information
- CAS
130440-31-2- Standard SMILES
C[C@H](N[11CH3])[C@H](O)c1cccc(O)c1- InChIKey
KEEFJRKWMCQJLN-CGGDJVLNSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 180.23 g/mol
- Monoisotopic mass
- 180.1217113
Names & identifiers
- Preferred name
- 3-Hydroxyephedrine, C-11
- IUPAC
- 3-[(1R,2S)-1-hydroxy-2-((111C)methylamino)propyl](11C)phenol
Names & synonyms
(11C)MHED(11C)HED3-Hydroxyephedrine, C-11CHEMBL227708HED C-11VFB6950Q3YMOLI000536130440-31-2(1R,2S)-11C-META-HYDROXYEPHEDRINE
Database identifiers
- CAS
130440-31-2- PubChem CID
- 450145
- ChEMBL
CHEMBL227708- UNII
- VFB6950Q3Y
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 52.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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