Basic information
- CAS
63991-17-3- Standard SMILES
C[NH2+]CC(O)c1cc(OC)ccc1OC.[Cl-]- InChIKey
XGRPZMQMSBNEOX-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO3
- Average molar mass
- 247.72 g/mol
- Monoisotopic mass
- 247.0975211
Names & identifiers
- Preferred name
- Benzyl alcohol, 2,5-dimethoxy-alpha-(methylaminomethyl)-, hydrochloride
- IUPAC
- [2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-methylazanium chloride
Names & synonyms
BENZYL ALCOHOL, 2,5-DIMETHOXY-alpha-(METHYLAMINOMETHYL)-, HYDROCHLORIDE63991-17-3RefChem:1079429beta-(2,5-Dimethoxyphenyl)-beta-hydroxyethylmethylamine hydrochloride
Database identifiers
- CAS
63991-17-3- PubChem CID
- 46243
Properties
Computed structural properties
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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