2-Azaniumyl-3-(4-chlorophenyl)propanoate
Basic information
- CAS
1991-78-2- Standard SMILES
[NH3+]C(Cc1ccc(Cl)cc1)C(=O)[O-]- InChIKey
NIGWMJHCCYYCSF-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
- Monoisotopic mass
- 199.0400063
Overview
See also: Fenclonine (preferred).
Names & identifiers
- Preferred name
- 2-Azaniumyl-3-(4-chlorophenyl)propanoate
- IUPAC
- 2-azaniumyl-3-(4-chlorophenyl)propanoate
- English name
- 4-chloro-3-phenylalanine
- Molecular formula
- C9H10ClNO2
- Molecular weight
- 199.6342
Names & synonyms
2-azaniumyl-3-(4-chlorophenyl)propanoate1991-78-2PARA-CHLOROPHENYLALANINE4-chloro-3-phenylalanineα-Amino-4-chlorobenzenepropionic acid3-(4-Chlorophenyl)-2-aminopropionic acid2-azanyl-3-(4-chlorophenyl)propanoic acid
Database identifiers
- CAS
1991-78-2、7424-00-2- PubChem CID
- 25200499
- EC Number
- 217-874-6
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Density
- 1.2409 · 1.2409 (rough estimate)
- refractive index
- 1.579 · 1.5790 (estimate)
Chemistry & industry
Additional notes
DefinitionChEBI: 2-amino-3-(4-chlorophenyl)propanoic acid is a phenylalanine derivative.
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Related reactions
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Compound notes
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