2',6'-Acetoxylidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride
Basic information
- CAS
102489-62-3- Standard SMILES
CC[NH+](CC)CC[NH+](CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.[Cl-].[Cl-]- InChIKey
GYPVLLOIJXIAKB-UHFFFAOYSA-N- Molecular formula
- C23H35Cl2N3O
- Average molar mass
- 440.4 g/mol
- Monoisotopic mass
- 439.2157181
Names & identifiers
- Preferred name
- 2',6'-Acetoxylidide, 2-(benzyl(2-(diethylamino)ethyl)amino)-, dihydrochloride
- IUPAC
- benzyl-[2-(diethylazaniumyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium dichloride
Names & synonyms
2',6'-ACETOXYLIDIDE, 2-(BENZYL(2-(DIETHYLAMINO)ETHYL)AMINO)-, DIHYDROCHLORIDE102489-62-3RefChem:1058602C 53502-(Benzyl(2-(diethylamino)ethyl)amino)-2',6'-acetoxylidide dihydrochloride
Database identifiers
- CAS
102489-62-3- PubChem CID
- 59394
Properties
Computed structural properties
- Topological polar surface area
- 38 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 408
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