Basic information
- CAS
77985-16-1- Standard SMILES
CC[NH+](CC)C(C)CC(=O)Nc1c(C)cccc1Cl.[Cl-]- InChIKey
CIUYCWJYXIYGEW-UHFFFAOYSA-N- Molecular formula
- C15H24Cl2N2O
- Average molar mass
- 319.3 g/mol
- Monoisotopic mass
- 318.1265688
Names & identifiers
- Preferred name
- N-(2-Chloro-6-methylphenyl)-3-(diethylamino)butanimidic acid--hydrogen chloride (1/1)
- IUPAC
- [4-(2-chloro-6-methylanilino)-4-oxobutan-2-yl]-diethylazanium chloride
Names & synonyms
77985-16-1DTXSID70999230N-(2-Chloro-6-methylphenyl)-3-(diethylamino)butanimidic acid--hydrogen chloride (1/1)RefChem:1091001DTXCID401426205C 51266'-Chloro-3-(diethylamino)-o-butyrotoluidide hydrochlorideo-BUTYROTOLUIDIDE, 6'-CHLORO-3-(DIETHYLAMINO)-, HYDROCHLORIDE
Database identifiers
- CAS
77985-16-1- PubChem CID
- 54019
Properties
Computed structural properties
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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