Basic information
- CAS
77791-67-4- Standard SMILES
CC[NH+](CC)CC[NH+](C)CC(=O)Nc1ccccc1OC.[Cl-].[Cl-]- InChIKey
XGBPUJDXZJTCIS-UHFFFAOYSA-N- Molecular formula
- C16H29Cl2N3O2
- Average molar mass
- 366.3 g/mol
- Monoisotopic mass
- 365.1636826
Names & identifiers
- Preferred name
- o-Acetanisidide, 2-(2-(diethylamino)ethyl)methylamino-, dihydrochloride
- IUPAC
- diethyl-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylazaniumyl]ethyl]azanium dichloride
Names & synonyms
77791-67-4o-ACETANISIDIDE, 2-(2-(DIETHYLAMINO)ETHYL)METHYLAMINO-, DIHYDROCHLORIDERefChem:1093584C 54162-(2-(Diethylamino)ethyl)methylamino-o-acetanisidide dihydrochloride
Database identifiers
- CAS
77791-67-4- PubChem CID
- 53778
Properties
Computed structural properties
- Topological polar surface area
- 47.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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