3,4-Dimethoxybenzenepropanamine hydrochloride
Basic information
- CAS
5705-54-4- Standard SMILES
COc1ccc(CCCN)cc1OC.Cl- InChIKey
OTMANLIKOBIDOQ-UHFFFAOYSA-N- Molecular formula
- C11H18ClNO2
- Average molar mass
- 231.72 g/mol
- Monoisotopic mass
- 231.1026065
Names & identifiers
- Preferred name
- 3,4-Dimethoxybenzenepropanamine hydrochloride
- IUPAC
- 3-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
Names & synonyms
Cambridge id 57055445705-54-43,4-Dimethoxybenzenepropanamine hydrochloride59734-58-63-(3,4-dimethoxyphenyl)propan-1-amine;hydrochlorideAC1NSMIKSCHEMBL8621696DTXSID704166143-(3,4-Dimethoxyphenyl)propan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
5705-54-4- PubChem CID
- 5336434
- DTXSID
DTXSID70416614
Properties
Computed structural properties
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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