3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1)
Basic information
- CAS
20110-58-1- Standard SMILES
CCCNC(C)C(C)c1ccc(Cl)cc1.Cl- InChIKey
QRUGVNBBUDARQP-UHFFFAOYSA-N- Molecular formula
- C13H21Cl2N
- Average molar mass
- 262.22 g/mol
- Monoisotopic mass
- 261.1051051
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1)
- IUPAC
- 3-(4-chlorophenyl)-N-propylbutan-2-amine;hydrochloride
Names & synonyms
20110-58-1DTXSID009421383-(4-Chlorophenyl)-N-propylbutan-2-amine--hydrogen chloride (1/1)RefChem:1066838DTXCID401370553B 12823-(p-Chlorophenyl)-N-propyl-2-butylamine hydrochloride2-Butylamine, 3-(p-chlorophenyl)-N-propyl-, hydrochloridePhenethylamine, 4-chloro-alpha,beta-dimethyl-N-propyl-, hydrochloride
Database identifiers
- CAS
20110-58-1- PubChem CID
- 209679
- DTXSID
DTXSID00942138
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 164
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Compound notes
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