(S)-3-Amino-4-(2-chlorophenyl)butanoic acid hydrochloride
Basic information
- CAS
270596-36-6- Standard SMILES
Cl.N[C@H](CC(=O)O)Cc1ccccc1Cl- InChIKey
POAZZXSNVUMPBP-QRPNPIFTSA-N- Molecular formula
- C10H13Cl2NO2
- Average molar mass
- 250.12 g/mol
- Monoisotopic mass
- 249.032334
Names & identifiers
- Preferred name
- (S)-3-Amino-4-(2-chlorophenyl)butanoic acid hydrochloride
- IUPAC
- (3S)-3-amino-4-(2-chlorophenyl)butanoic acid;hydrochloride
- English name
- (S)-3-AMino-4-(2-chlorophenyl)-butyric acid-HCl
- Molecular formula
- C10H13Cl2NO2
- Molecular weight
- 250.12
Names & synonyms
270596-36-6(S)-3-AMINO-4-(2-CHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE331763-52-1(S)-3-amino-4-(2-chloro-phenyl)-butyric acid-HCl(3S)-3-amino-4-(2-chlorophenyl)butanoic Acid Hydrochloride(3S)-3-amino-4-(2-chlorophenyl)butanoic acid;hydrochlorideMFCD01860996Benzenebutanoic acid, b-amino-2-chloro-, (bS)-Benzenebutanoic acid, beta-amino-2-chloro-, hydrochloride (1:1), (betaS)-(S)-3-AMINO-4-(2-CHLOROPHENYL)-BUTYRIC ACID-HCLH-beta-HPhe(2-Cl)-OH HClDTXSID50375831
Show more names
2-Chloro-L-β-homophenylalanine hydrochloride
AKOS016843764FD10305AC-22150PS-12085(S)-3-Amino-4-(2-chloro-phenyl)-butyric acid HCl(3S)-3-Amino-4-(2-chlorophenyl)butanoic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
270596-36-6、331763-52-1- PubChem CID
- 2761561
- DTXSID
DTXSID50375831
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
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Related reactions
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Compound notes
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