(+-)-3-(p-Tolyl)-4-aminobutyric acid hydrochloride
Basic information
- CAS
28311-37-7- Standard SMILES
Cc1ccc(C(C[NH3+])CC(=O)O)cc1.[Cl-]- InChIKey
FCGLLGMJUAIJIZ-UHFFFAOYSA-N- Molecular formula
- C11H16ClNO2
- Average molar mass
- 229.7 g/mol
- Monoisotopic mass
- 229.0869564
Overview
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Names & identifiers
- Preferred name
- (+-)-3-(p-Tolyl)-4-aminobutyric acid hydrochloride
- IUPAC
- [3-carboxy-2-(4-methylphenyl)propyl]azanium chloride
Names & synonyms
(+-)-3-(p-Tolyl)-4-aminobutyric acid hydrochlorideBUTYRIC ACID, 4-AMINO-3-(p-TOLYL)-, HYDROCHLORIDE, (+-)-AKOS02436656067063-80-3ST510001614-amino-3-(4-methylphenyl)butanoic acid, chloride
Database identifiers
- CAS
28311-37-7、67063-80-3- PubChem CID
- 49343
Properties
Computed structural properties
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
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Compound notes
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