Basic information
- CAS
88461-59-0- Standard SMILES
CCCC[NH2+]CC(O)c1cccc(O)c1.[Cl-]- InChIKey
VMPZQUYBYXOXBU-UHFFFAOYSA-N- Molecular formula
- C12H20ClNO2
- Average molar mass
- 245.74 g/mol
- Monoisotopic mass
- 245.1182566
Names & identifiers
- Preferred name
- Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride
- IUPAC
- butyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride
Names & synonyms
alpha-((Butylamino)methyl)-3-hydroxybenzyl alcohol hydrochlorideBENZYL ALCOHOL, alpha-((BUTYLAMINO)METHYL)-3-HYDROXY-, HYDROCHLORIDE88461-59-0RefChem:328572
Database identifiers
- CAS
88461-59-0- PubChem CID
- 55802
Properties
Computed structural properties
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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