Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride
Basic information
- CAS
66859-47-0- Standard SMILES
CCOC(=O)C(CC[NH3+])c1ccccc1.[Cl-]- InChIKey
ZXEMVKXLQWXELP-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO2
- Average molar mass
- 243.73 g/mol
- Monoisotopic mass
- 243.1026065
Names & identifiers
- Preferred name
- Butyric acid, 4-amino-2-phenyl-, ethyl ester, hydrochloride
- IUPAC
- (4-ethoxy-4-oxo-3-phenylbutyl)azanium chloride
Names & synonyms
BUTYRIC ACID, 4-AMINO-2-PHENYL-, ETHYL ESTER, HYDROCHLORIDE66859-47-0RefChem:1080489Ethyl(4-amino-2-phenyl)butyrate hydrochloride
Database identifiers
- CAS
66859-47-0- PubChem CID
- 48188
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 188
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Compound notes
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