Basic information
- CAS
66859-66-3- Standard SMILES
CCOC(=O)C(CC[NH3+])c1ccc(Cl)cc1.[Cl-]- InChIKey
CUBDJBJBQYDLCJ-UHFFFAOYSA-N- Molecular formula
- C12H17Cl2NO2
- Average molar mass
- 278.17 g/mol
- Monoisotopic mass
- 277.0636342
Names & identifiers
- Preferred name
- Ethyl 4-amino-2-(4-chlorophenyl)butanoate--hydrogen chloride (1/1)
- IUPAC
- [3-(4-chlorophenyl)-4-ethoxy-4-oxobutyl]azanium chloride
Names & synonyms
66859-66-3DTXSID50985479Ethyl 4-amino-2-(4-chlorophenyl)butanoate--hydrogen chloride (1/1)RefChem:1084926DTXCID601412672Ethyl 4-amino-2-(p-chlorophenyl)butyrate hydrochlorideBUTYRIC ACID, 4-AMINO-2-(p-CHLOROPHENYL)-, ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66859-66-3- PubChem CID
- 48211
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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