2-(4-Chlorophenyl)-4-aminobutyric acid
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Basic information
- CAS
120418-68-0- Standard SMILES
NCCC(C(=O)O)c1ccc(Cl)cc1- InChIKey
YSUNOHPTERXNIV-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO2
- Average molar mass
- 213.66 g/mol
- Monoisotopic mass
- 213.0556563
Overview
GABA receptor agonist; RN given refers to parent cpd
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-4-aminobutyric acid
- IUPAC
- 4-amino-2-(4-chlorophenyl)butanoic acid
- English name
- 2-(4-chlorophenyl)-4-aminobutyric acid
- Molecular formula
- C10H12ClNO2
- Molecular weight
- 213.66
Names & synonyms
120418-68-02-Pcp-GABA2-(4-Chlorophenyl)-4-aminobutyric acidRefChem:843864-amino-2-(4-chlorophenyl)butanoic acidSCHEMBL4830664DTXSID50923396p-chlorophenyl gamma-aminobutyric acidBenzeneacetic acid, alpha-(2-aminoethyl)-4-chloro-Benzeneacetic acid, α-(2-aminoethyl)-4-chloro-
Database identifiers
- CAS
120418-68-0- PubChem CID
- 48214
- DTXSID
DTXSID50923396
Properties
Computed structural propertiesFilling in
- XLogP
- -0.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 365.4 · 365.4±37.0 °C(Predicted)
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- pka
- 3.4 · 3.40±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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