Basic information
- CAS
20809-11-4- Standard SMILES
CCCC(=O)c1cccc([N+](=O)[O-])c1OCC[NH+](CC)CC.[Cl-]- InChIKey
SMRWUDYXSJCZDW-UHFFFAOYSA-N- Molecular formula
- C16H25ClN2O4
- Average molar mass
- 344.8 g/mol
- Monoisotopic mass
- 344.150285
Names & identifiers
- Preferred name
- Butyrophenone, 2'-(2-(diethylamino)ethoxy)-3'-nitro-, hydrochloride
- IUPAC
- 2-(2-butanoyl-6-nitrophenoxy)ethyl-diethylazanium chloride
Names & synonyms
Butyrophenone, 6'-(2-(diethylamino)ethoxy)-5'-nitro-, hydrochloride2-Butyryl-6-nitro-beta-(N,N-diethyl)phenoxyethylamine, hydrochlorideBUTYROPHENONE, 2'-(2-(DIETHYLAMINO)ETHOXY)-3'-NITRO-, HYDROCHLORIDE20809-11-4RefChem:331365
Database identifiers
- CAS
20809-11-4- PubChem CID
- 30288
Properties
Computed structural properties
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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