alpha-Methyl-N-(2,2,2-trichloroethylidene)benzeneethanamine
Basic information
- CAS
25394-63-2- Standard SMILES
CC(Cc1ccccc1)N=CC(Cl)(Cl)Cl- InChIKey
VBZDETYCYXPOAK-UHFFFAOYSA-N- Molecular formula
- C11H12Cl3N
- Average molar mass
- 264.6 g/mol
- Monoisotopic mass
- 263.003532
Overview
Amfecloral is a member of amphetamines.
Names & identifiers
- Preferred name
- alpha-Methyl-N-(2,2,2-trichloroethylidene)benzeneethanamine
- IUPAC
- 2,2,2-trichloro-N-(1-phenylpropan-2-yl)ethanimine
- English name
- α-Methyl-N-(2,2,2-trichloroethylidene)benzeneethanamine
- Molecular formula
- C11H12Cl3N
- Molecular weight
- 264.58
Names & synonyms
5581-35-1RefChem:199493alpha-Methyl-N-(2,2,2-trichloroethylidene)benzeneethanamineAmfecloralAMPHECLORALAnfecloral(+)-Amfecloral(-)-AmfecloralAmphecloral [USAN]Amfecloral, (+)-Amfecloral, (-)-Amfecloral [INN]
Show more names
Acutranα-Methyl-N-(2,2,2-trichloroethylidene)benzeneethanamineBenzeneethanamine, α-methyl-N-(2,2,2-trichloroethylidene)-
S0DYI19OEXWZS9L0Z92R6015XOA0BIalpha-Methyl-N-(2,2,2-trichloroethylidene)phenethylamineAmfecloral (INN)Amphecloral (USAN)25394-63-271528-69-3
Database identifiers
- CAS
25394-63-2、5581-35-1、71528-69-3- PubChem CID
- 21759
- DTXSID
DTXSID00863571- ChEMBL
CHEMBL2105544- ChEBI
CHEBI:135924- UNII
- 6015XOA0BI、S0DYI19OEX、WZS9L0Z92R
- Nikkaji
- J8.005E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 412.95 °C · 412.95°C (rough estimate)
- Density
- 1.3697 · 1.3697 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- pka
- 3.33 · 3.33±0.50(Predicted)
- FDA UNII
- 6015 XOA0BI · 6015XOA0BI
Chemistry & industry
Applications
UsesAnorexic.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Amfecloral is a member of amphetamines.
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Compound notes
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