Basic information
- CAS
77966-46-2- Standard SMILES
CC[NH+](CC)CC(=O)Nc1cccc(Cl)c1C.[Cl-]- InChIKey
QUHMNMSROUSUOR-UHFFFAOYSA-N- Molecular formula
- C13H20Cl2N2O
- Average molar mass
- 291.21 g/mol
- Monoisotopic mass
- 290.0952687
Names & identifiers
- Preferred name
- N-(3-Chloro-2-methylphenyl)-2-(diethylamino)ethanimidic acid--hydrogen chloride (1/1)
- IUPAC
- [2-(3-chloro-2-methylanilino)-2-oxoethyl]-diethylazanium chloride
Names & synonyms
77966-46-2DTXSID40999161N-(3-Chloro-2-methylphenyl)-2-(diethylamino)ethanimidic acid--hydrogen chloride (1/1)RefChem:1091148DTXCID401426136C 3037Acetanilide, 3'-chloro-2-(diethylamino)-2'-methyl-, hydrochloride3'-Chloro-2-(diethylamino)-o-acetotoluidide hydrochlorideo-ACETOTOLUIDIDE, 3'-CHLORO-2-(DIETHYLAMINO)-, HYDROCHLORIDE
Database identifiers
- CAS
77966-46-2- PubChem CID
- 53895
Properties
Computed structural properties
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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