3-amino-3-(4-chlorophenyl)propanoic Acid Hydrochloride
Basic information
- CAS
5788-23-8- Standard SMILES
Cl.NC(CC(=O)O)c1ccc(Cl)cc1- InChIKey
OWLYBHXRFBLXNQ-UHFFFAOYSA-N- Molecular formula
- C9H11Cl2NO2
- Average molar mass
- 236.09 g/mol
- Monoisotopic mass
- 235.016684
Names & identifiers
- Preferred name
- 3-amino-3-(4-chlorophenyl)propanoic Acid Hydrochloride
- IUPAC
- 3-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride
Names & synonyms
5788-23-8AC1NSNIA3-amino-3-(4-chlorophenyl)propanoic Acid HydrochlorideSCHEMBL18130542DTXSID604166483-amino-3-(4-chlorophenyl)propanoic acid;hydrochloride3-Amino-3-(4-chlorophenyl)propanoic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
5788-23-8- PubChem CID
- 5336872
- DTXSID
DTXSID60416648
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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