Basic information
- CAS
66922-80-3- Standard SMILES
CCOC(=O)C(CC[NH3+])c1ccc(C)c(C)c1.[Cl-]- InChIKey
IYDLWHGJXOUPJT-UHFFFAOYSA-N- Molecular formula
- C14H22ClNO2
- Average molar mass
- 271.78 g/mol
- Monoisotopic mass
- 271.1339066
Names & identifiers
- Preferred name
- Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1)
- IUPAC
- [3-(3,4-dimethylphenyl)-4-ethoxy-4-oxobutyl]azanium chloride
Names & synonyms
66922-80-3DTXSID10985591Ethyl 4-amino-2-(3,4-dimethylphenyl)butanoate--hydrogen chloride (1/1)RefChem:1084925DTXCID401412783Ethyl 4-amino-2-(3,4-xylyl)butyrate hydrochlorideBUTYRIC ACID, 4-AMINO-2-(3,4-XYLYL)-, ETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66922-80-3- PubChem CID
- 48384
Properties
Computed structural properties
- Topological polar surface area
- 53.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…