Butyrophenone, 3'-amino-2'-(2-(diethylamino)ethoxy)-, dihydrochloride
Basic information
- CAS
20809-12-5- Standard SMILES
CCCC(=O)c1cccc([NH3+])c1OCC[NH+](CC)CC.[Cl-].[Cl-]- InChIKey
VKCLWQMLBPOVPX-UHFFFAOYSA-N- Molecular formula
- C16H28Cl2N2O2
- Average molar mass
- 351.3 g/mol
- Monoisotopic mass
- 350.1527835
Names & identifiers
- Preferred name
- Butyrophenone, 3'-amino-2'-(2-(diethylamino)ethoxy)-, dihydrochloride
- IUPAC
- 2-(2-azaniumyl-6-butanoylphenoxy)ethyl-diethylazanium dichloride
Names & synonyms
BUTYROPHENONE, 3'-AMINO-2'-(2-(DIETHYLAMINO)ETHOXY)-, DIHYDROCHLORIDE20809-12-52-Butyryl-6-amino-beta-(N,N-diethyl)phenoxyethylamine, dihydrochlorideButyrophenone, 5'-amino-6'-(2-(diethylamino)ethoxy)-, dihydrochlorideRefChem:331378
Database identifiers
- CAS
20809-12-5- PubChem CID
- 30290
Properties
Computed structural properties
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 280
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