3-(4-Chlorophenyl)-N-propylbutan-2-amine
Basic information
- CAS
20110-30-9- Standard SMILES
CCCNC(C)C(C)c1ccc(Cl)cc1- InChIKey
ORWZGFCBIQOWJP-UHFFFAOYSA-N- Molecular formula
- C13H20ClN
- Average molar mass
- 225.76 g/mol
- Monoisotopic mass
- 225.1284273
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-N-propylbutan-2-amine
- IUPAC
- 3-(4-chlorophenyl)-N-propylbutan-2-amine
- English name
- p-Chloro-α,β-dimethyl-N-propylbenzeneethanamine
- Molecular formula
- C13H20ClN
- Molecular weight
- 225.76
Names & synonyms
3-(4-chlorophenyl)-n-propylbutan-2-amine20110-30-9DTXSID60942134RefChem:1066837DTXCID001370549BRN 2968475p-Chloro-alpha,beta-dimethyl-N-propylphenethylaminePhenethylamine, p-chloro-alpha,beta-dimethyl-N-propyl-AKOS015784026p-Chloro-α,β-dimethyl-N-propylbenzeneethanamineBenzeneethanamine, 4-chloro-α,β-dimethyl-N-propyl-
Database identifiers
- CAS
20110-30-9- PubChem CID
- 209672
- DTXSID
DTXSID60942134- Nikkaji
- J50.036D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 110 · 110-112 °C(Press: 1.5 Torr)
- Density
- 0.995 · 0.995±0.06 g/cm3(Predicted)
- pka
- 10.15 · 10.15±0.29(Predicted)
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Compound notes
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