Basic information
- CAS
946-43-0- Standard SMILES
C[NH2+]C(C)C(O)c1ccc(O)c(O)c1.[Cl-]- InChIKey
HPDZIFBLRDLGFA-UHFFFAOYSA-N- Molecular formula
- C10H16ClNO3
- Average molar mass
- 233.69 g/mol
- Monoisotopic mass
- 233.0818711
Names & identifiers
- Preferred name
- 1,2-Benzenediol, 4-(1-hydroxy-2-(methylamino)propyl)-, hydrochloride (1:1)
- IUPAC
- [1-(3,4-dihydroxyphenyl)-1-hydroxypropan-2-yl]-methylazanium chloride
Names & synonyms
946-43-0RefChem:10521441,2-Benzenediol, 4-(1-hydroxy-2-(methylamino)propyl)-, hydrochloride (1:1)Methyl(beta,3,4-trihydroxy-alpha-methylphenethyl)ammonium chlorideDioxy-ephedrin3,4-Dioxyephedrine3,4-Dihydroxyephedrine hydrochlorideEINECS 213-421-13,4-Dioxyephedrine hydrochloride1-Propanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochlorideBENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-(1-(METHYLAMINO)ETHYL)-, HYDROCHLORIDENS00041970
Database identifiers
- CAS
946-43-0- PubChem CID
- 13682
- EC Number
- 213-421-1
Properties
Computed structural properties
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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