Basic information
- CAS
77234-73-2- Standard SMILES
CCC(C)c1ccc(C(=O)C[NH+]2C=CN=C2)cc1.[Cl-]- InChIKey
SSKFWNWEKJXPGN-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O
- Average molar mass
- 278.78 g/mol
- Monoisotopic mass
- 278.1185909
Names & identifiers
- Preferred name
- Acetophenone, 4'-sec-butyl-2-(1-imidazolyl)-, hydrochloride
- IUPAC
- 1-(4-butan-2-ylphenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone chloride
Names & synonyms
N-((4-sec-Butylbenzoyl)methyl)imidazole hydrochloride77234-73-2ACETOPHENONE, 4'-sec-BUTYL-2-(1-IMIDAZOLYL)-, HYDROCHLORIDERefChem:316973
Database identifiers
- CAS
77234-73-2- PubChem CID
- 53609
Properties
Computed structural properties
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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