4-Chloro-alpha-ethylbenzeneethanamine
Basic information
- CAS
2275-64-1- Standard SMILES
CCC(N)Cc1ccc(Cl)cc1- InChIKey
BDZUAWTZJXBMLX-UHFFFAOYSA-N- Molecular formula
- C10H14ClN
- Average molar mass
- 183.68 g/mol
- Monoisotopic mass
- 183.0814771
Names & identifiers
- Preferred name
- 4-Chloro-alpha-ethylbenzeneethanamine
- IUPAC
- 1-(4-chlorophenyl)butan-2-amine
- English name
- 1-(4-chlorophenyl)-2-aminobutane
- Molecular formula
- C10H14ClN
- Molecular weight
- 183.68
Names & synonyms
2275-64-11-(4-Chlorophenyl)-2-aminobutane4-Chloro-alpha-ethylbenzeneethanamineDTXSID30945430RefChem:912432DTXCID4013737451-(4-chlorophenyl)butan-2-amine4-ChlorophenylisobutylamineLJ4HK7485XBenzeneethanamine, 4-chloro-alpha-ethyl-UNII-LJ4HK7485XSCHEMBL9883153
Show more names
-ethylbenzeneethanamine4-Chloro-α-ethylbenzeneethanamineN-(3-Chloro-2-Methylpropyl)anilineBenzeneethanaMine,4-chloro-a-ethyl-Benzeneethanamine, 4-chloro-α-ethyl-
p-Chloro-alpha-ethylphenethylamine1-(4-Chloro-Phenyl)-2-butanaminePhenethylamine, p-chloro-alpha-ethyl-PD047528NS00017688EN300-146734N14547Phenethylamine, p-chloro-alpha-ethyl-, (+/-)-
Database identifiers
- CAS
2275-64-1- PubChem CID
- 150989
- DTXSID
DTXSID30945430- UNII
- LJ4HK7485X
- Nikkaji
- J366.284E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 262.2 · 262.2±15.0 °C(Predicted)
- Density
- 1.072 · 1.072±0.06 g/cm3(Predicted)
- pka
- 9.82 · 9.82±0.10(Predicted)
- FDA UNII
- 4 HK7485X · LJ4HK7485X
Chemistry & industry
Applications
Uses4-Chloro-α-ethylbenzeneethanamine is one of the substances used in the study of the effect of chloroamphetamines in lowering the serotonin level of animals.
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Compound notes
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