m-Acetotoluidide, 6'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride
Basic information
- CAS
77966-45-1- Standard SMILES
CC[NH+](CC)CC[NH+](C)CC(=O)Nc1cc(C)ccc1Cl.[Cl-].[Cl-]- InChIKey
DCRKLMVYPFEZNX-UHFFFAOYSA-N- Molecular formula
- C16H28Cl3N3O
- Average molar mass
- 384.8 g/mol
- Monoisotopic mass
- 383.129796
Names & identifiers
- Preferred name
- m-Acetotoluidide, 6'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride
- IUPAC
- [2-(2-chloro-5-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium dichloride
Names & synonyms
77966-45-1m-Acetotoluidide, 6'-chloro-2-(2-(diethylamino)ethyl)methylamino-, dihydrochlorideRefChem:1088669[2-(2-chloro-5-methylanilino)-2-oxoethyl]-[2-(diethylazaniumyl)ethyl]-methylazanium;dichloride6'-Chloro-2-(2-(diethylamino)ethyl)methylamino-m-acetotoluidide dihydrochlorideC 5398
Database identifiers
- CAS
77966-45-1- PubChem CID
- 53893
Properties
Computed structural properties
- Topological polar surface area
- 38 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 310
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Compound notes
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