Basic information
- CAS
109651-74-3- Standard SMILES
Cc1ccc(NC(=O)C[NH2+]CC(C)C)cc1Cl.[Cl-]- InChIKey
MXVVXINBWKVADE-UHFFFAOYSA-N- Molecular formula
- C13H20Cl2N2O
- Average molar mass
- 291.21 g/mol
- Monoisotopic mass
- 290.0952687
Names & identifiers
- Preferred name
- p-Acetotoluidide, 3'-chloro-2-isobutylamino-, hydrochloride
- IUPAC
- [2-(3-chloro-4-methylanilino)-2-oxoethyl]-(2-methylpropyl)azanium chloride
Names & synonyms
3'-Chloro-2-isobutylamino-p-acetotoluidide hydrochloride109651-74-3p-ACETOTOLUIDIDE, 3'-CHLORO-2-ISOBUTYLAMINO-, HYDROCHLORIDERefChem:367565
Database identifiers
- CAS
109651-74-3- PubChem CID
- 60355
Properties
Computed structural properties
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…