Basic information
- CAS
77234-69-6- Standard SMILES
C.Nc1ccc(C(=O)C[NH+]2C=CN=C2)cc1.[Cl-]- InChIKey
IVPFOZRRUAAUAU-UHFFFAOYSA-N- Molecular formula
- C12H16ClN3O
- Average molar mass
- 253.73 g/mol
- Monoisotopic mass
- 253.0981898
Names & identifiers
- Preferred name
- Acetophenone, 4'-amino-2-(1-imidazolyl)-, hydrochloride
- IUPAC
- 1-(4-aminophenyl)-2-(1H-imidazol-1-ium-1-yl)ethanone;methane;chloride
Names & synonyms
77234-69-6ACETOPHENONE, 4'-AMINO-2-(1-IMIDAZOLYL)-, HYDROCHLORIDERefChem:1075958N-(4-Aminophenacyl)imidazole hydrochlorideN-((4-Aminobenzoyl)methyl)imidazole hydrochloride
Database identifiers
- CAS
77234-69-6- PubChem CID
- 53601
Properties
Computed structural properties
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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