Basic information
- CAS
63867-14-1- Standard SMILES
CCOC(=O)C(c1ccccc1)(c1ccccc1)C(C)C[NH+](C)C.[Cl-]- InChIKey
AEFKGCXZPXLJKP-UHFFFAOYSA-N- Molecular formula
- C21H28ClNO2
- Average molar mass
- 361.9 g/mol
- Monoisotopic mass
- 361.1808568
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, ethyl ester, hydrochloride
- IUPAC
- (4-ethoxy-2-methyl-4-oxo-3,3-diphenylbutyl)-dimethylazanium chloride
Names & synonyms
63867-14-1RefChem:1078311Benzeneacetic acid, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, ethyl ester, hydrochlorideButyric acid, 3-(N,N-dimethylamino)methyl-2,2-diphenyl-, ethyl ester, hydrochloride4-Dimethylamino-2,2-diphenyl-3-methyl butanoate, ethyl ester, hydrochloride
Database identifiers
- CAS
63867-14-1- PubChem CID
- 44845
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…