Benzeneethanamine, N,alpha-dimethyl-4-(3-(dimethylamino)propoxy)-, dihydrochloride
Basic information
- CAS
126002-21-9- Standard SMILES
CNC(C)Cc1ccc(OCCCN(C)C)cc1.Cl.Cl- InChIKey
JIGIZLCHLJDZOC-UHFFFAOYSA-N- Molecular formula
- C15H28Cl2N2O
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 322.1578689
Names & identifiers
- Preferred name
- Benzeneethanamine, N,alpha-dimethyl-4-(3-(dimethylamino)propoxy)-, dihydrochloride
- IUPAC
- 1-[4-[3-(dimethylamino)propoxy]phenyl]-N-methylpropan-2-amine;dihydrochloride
Names & synonyms
N,alpha-Dimethyl-4-(3-(dimethylamino)propoxy)benzeneethanamine dihydrochloride126002-21-9Benzeneethanamine, N,alpha-dimethyl-4-(3-(dimethylamino)propoxy)-, dihydrochlorideRefChem:324627DTXSID50925355N,N-Dimethyl-3-{4-[2-(methylamino)propyl]phenoxy}propan-1-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
126002-21-9- PubChem CID
- 3079527
- DTXSID
DTXSID50925355
Properties
Computed structural properties
- Topological polar surface area
- 24.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 201
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Compound notes
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