4-Amino-2-(4-chlorophenyl)butanoic acid--hydrogen chloride (1/1)
Basic information
- CAS
66859-67-4- Standard SMILES
[Cl-].[NH3+]CCC(C(=O)O)c1ccc(Cl)cc1- InChIKey
OBHYSBMAJPVQKX-UHFFFAOYSA-N- Molecular formula
- C10H13Cl2NO2
- Average molar mass
- 250.12 g/mol
- Monoisotopic mass
- 249.032334
Names & identifiers
- Preferred name
- 4-Amino-2-(4-chlorophenyl)butanoic acid--hydrogen chloride (1/1)
- IUPAC
- [3-carboxy-3-(4-chlorophenyl)propyl]azanium chloride
Names & synonyms
DTXSID609854804-Amino-2-(4-chlorophenyl)butanoic acid--hydrogen chloride (1/1)RefChem:1070231DTXCID3014126734-Amino-2-(p-chlorophenyl)butyric acid hydrochloride66859-67-4BUTYRIC ACID, 4-AMINO-2-(p-CHLOROPHENYL)-, HYDROCHLORIDE
Database identifiers
- CAS
66859-67-4- PubChem CID
- 48213
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
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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