Basic information
- CAS
63991-15-1- Standard SMILES
COc1ccc(OC)c(C(O)C(C)[NH+](C)C)c1.[Cl-]- InChIKey
IHKPROKNRABKBI-UHFFFAOYSA-N- Molecular formula
- C13H22ClNO3
- Average molar mass
- 275.77 g/mol
- Monoisotopic mass
- 275.1288213
Names & identifiers
- Preferred name
- 1-(2,5-Dimethoxyphenyl)-2-(dimethylamino)propan-1-ol--hydrogen chloride (1/1)
- IUPAC
- [1-(2,5-dimethoxyphenyl)-1-hydroxypropan-2-yl]-dimethylazanium chloride
Names & synonyms
63991-15-1DTXSID009818051-(2,5-Dimethoxyphenyl)-2-(dimethylamino)propan-1-ol--hydrogen chloride (1/1)RefChem:1053848DTXCID5014090742,5-Dimethoxy-alpha-(1-dimethylaminoethyl)benzyl alcohol hydrochlorideBENZYL ALCOHOL, 2,5-DIMETHOXY-alpha-(1-DIMETHYLAMINOETHYL)-, HYDROCHLORIDE
Database identifiers
- CAS
63991-15-1- PubChem CID
- 46239
Properties
Computed structural properties
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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