Basic information
- CAS
63991-14-0- Standard SMILES
COc1ccc(C(O)C(C)[NH3+])c(OC)c1.[Cl-]- InChIKey
KOXGZZKWEVONRZ-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO3
- Average molar mass
- 247.72 g/mol
- Monoisotopic mass
- 247.0975211
Names & identifiers
- Preferred name
- 2-Amino-1-(2,4-dimethoxyphenyl)propan-1-ol--hydrogen chloride (1/1)
- IUPAC
- [1-(2,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]azanium chloride
Names & synonyms
63991-14-0DTXSID409818042-Amino-1-(2,4-dimethoxyphenyl)propan-1-ol--hydrogen chloride (1/1)RefChem:1062108DTXCID801409073alpha-(1-Aminoethyl)-2,4-dimethoxybenzyl alcohol hydrochlorideBENZYL ALCOHOL, alpha-(1-AMINOETHYL)-2,4-DIMETHOXY-, HYDROCHLORIDE
Database identifiers
- CAS
63991-14-0- PubChem CID
- 46237
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
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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