Basic information
- CAS
672918-76-2- Standard SMILES
Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)c(C)c1- InChIKey
STCSCIFTVHVLDC-UHFFFAOYSA-N- Molecular formula
- C17H19NO
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.14666423
Names & identifiers
- Preferred name
- N-(3,4-dimethylphenyl)-2,4-dimethylbenzamide
- IUPAC
- N-(3,4-dimethylphenyl)-2,4-dimethylbenzamide
- English name
- Benzamide, N-(3,4-dimethylphenyl)-2,4-dimethyl- (9CI)
- Molecular formula
- C17H19NO
- Molecular weight
- 253.34
Names & synonyms
N-(3,4-dimethylphenyl)-2,4-dimethylbenzamide672918-76-2DTXSID80404108AKOS001056167Z27803918Benzamide, N-(3,4-dimethylphenyl)-2,4-dimethyl-Benzamide, N-(3,4-dimethylphenyl)-2,4-dimethyl- (9CI)
Database identifiers
- CAS
672918-76-2- PubChem CID
- 4546151
- DTXSID
DTXSID80404108
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 339.5 · 339.5±42.0 °C(Predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- pka
- 13.79 · 13.79±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…