Basic information
- CAS
63991-18-4- Standard SMILES
COc1ccc(OC)c(C(C)(O)C[NH3+])c1.[Cl-]- InChIKey
ULTHZYBVLBNQSI-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-methyl-alpha-(aminomethyl)-, hydrochloride
- IUPAC
- [2-(2,5-dimethoxyphenyl)-2-hydroxypropyl]azanium chloride
Names & synonyms
BENZYL ALCOHOL, 2,5-DIMETHOXY-alpha-METHYL-alpha-(AMINOMETHYL)-, HYDROCHLORIDE63991-18-4RefChem:1079430Benzyl alcohol, alpha-(aminomethyl)-2,5-dimethoxy-alpha-methyl-, hydrochloride
Database identifiers
- CAS
63991-18-4- PubChem CID
- 46245
Properties
Computed structural properties
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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