Basic information
- CAS
64037-41-8- Standard SMILES
CCC([NH2+]C)C(O)c1ccc(O)c(O)c1.[Cl-]- InChIKey
MWTKBRSZHDQNSZ-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO3
- Average molar mass
- 247.72 g/mol
- Monoisotopic mass
- 247.0975211
Names & identifiers
- Preferred name
- 1-Butanol, 1-(3,4-dihydroxyphenyl)-2-methylamino-, hydrochloride
- IUPAC
- [1-(3,4-dihydroxyphenyl)-1-hydroxybutan-2-yl]-methylazanium chloride
Names & synonyms
1-(3,4-Dihydroxyphenyl)-2-methylamino-1-butanol hydrochloride1-BUTANOL, 1-(3,4-DIHYDROXYPHENYL)-2-METHYLAMINO-, HYDROCHLORIDE64037-41-8RefChem:228789
Database identifiers
- CAS
64037-41-8- PubChem CID
- 46413
Properties
Computed structural properties
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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