4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1)
Basic information
- CAS
66859-46-9- Standard SMILES
CC(C[NH3+])C(C(=O)O)c1ccccc1.[Cl-]- InChIKey
GZZBJKKTDTUEKL-UHFFFAOYSA-N- Molecular formula
- C11H16ClNO2
- Average molar mass
- 229.7 g/mol
- Monoisotopic mass
- 229.0869564
Names & identifiers
- Preferred name
- 4-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1)
- IUPAC
- (3-carboxy-2-methyl-3-phenylpropyl)azanium chloride
Names & synonyms
66859-46-9DTXSID309854724-Amino-3-methyl-2-phenylbutanoic acid--hydrogen chloride (1/1)RefChem:1070261DTXCID101412665BUTYRIC ACID, 4-AMINO-3-METHYL-2-PHENYL-, HYDROCHLORIDE(4-Amino-3-methyl-2-phenyl)butyric acid hydrochloride
Database identifiers
- CAS
66859-46-9- PubChem CID
- 48186
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
- 188
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Compound notes
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