Ketone, methyl 9-perimidinyl, hydrochloride
Basic information
- CAS
101831-64-5- Standard SMILES
CC(=O)c1ccc2cccc3c2c1N=C[NH2+]3.[Cl-]- InChIKey
PABQSGSJPVFQSR-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0559907
Names & identifiers
- Preferred name
- Ketone, methyl 9-perimidinyl, hydrochloride
- IUPAC
- 1-(1H-perimidin-1-ium-4-yl)ethanone chloride
Names & synonyms
9-Acetylperimidine hydrochloridePerimidine, 9-acetyl-, hydrochloride101831-64-5KETONE, METHYL 9-PERIMIDINYL, HYDROCHLORIDERefChem:350483
Database identifiers
- CAS
101831-64-5- PubChem CID
- 58922
- DTXSID
DTXSID30906662
Properties
Computed structural properties
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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