Benzyl alcohol, alpha-((((3,4-dimethoxyphenyl)methyl)amino)methyl)-3-hydroxy-, hydrochloride
Basic information
- CAS
88461-62-5- Standard SMILES
COc1ccc(C[NH2+]CC(O)c2cccc(O)c2)cc1OC.[Cl-]- InChIKey
GEUTYWHFBWZKKS-UHFFFAOYSA-N- Molecular formula
- C17H22ClNO4
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.1237359
Names & identifiers
- Preferred name
- Benzyl alcohol, alpha-((((3,4-dimethoxyphenyl)methyl)amino)methyl)-3-hydroxy-, hydrochloride
- IUPAC
- (3,4-dimethoxyphenyl)methyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride
Names & synonyms
Benzyl alcohol, alpha-((((3,4-dimethoxyphenyl)methyl)amino)methyl)-3-hydroxy-, hydrochloridealpha-((((3,4-Dimethoxyphenyl)methyl)amino)methyl)-3-hydroxybenzyl alcohol hydrochloride88461-62-5RefChem:328559
Database identifiers
- CAS
88461-62-5- PubChem CID
- 55808
Properties
Computed structural properties
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 315
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Compound notes
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