(1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, (+-)-, compd. with benzenemethanamine (1:1)
Basic information
- CAS
161692-96-2- Standard SMILES
CC(CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)O.NCc1ccccc1- InChIKey
MTGYJJWHIOMQQF-UHFFFAOYSA-N- Molecular formula
- C24H23F2NO3
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.16459992
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, (+-)-, compd. with benzenemethanamine (1:1)
- IUPAC
- 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid;phenylmethanamine
Names & synonyms
Benzenemethanamine, (+-)-2',4'-difluoro-alpha-methyl-gamma-oxo(1,1'-biphenyl)-4-butanoate161692-96-2RefChem:203988DTXSID509365824-(2',4'-Difluoro[1,1'-biphenyl]-4-yl)-2-methyl-4-oxobutanoic acid--1-phenylmethanamine (1/1)
Database identifiers
- CAS
161692-96-2- PubChem CID
- 3074791
- DTXSID
DTXSID50936582
Properties
Computed structural properties
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…