Ketone, methyl 6-perimidinyl, hydrochloride
Basic information
- CAS
101831-63-4- Standard SMILES
CC(=O)c1ccc2c3c(cccc13)N=C[NH2+]2.[Cl-]- InChIKey
XTVVQSXBDYTSNB-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O
- Average molar mass
- 246.69 g/mol
- Monoisotopic mass
- 246.0559907
Names & identifiers
- Preferred name
- Ketone, methyl 6-perimidinyl, hydrochloride
- IUPAC
- 1-(3H-perimidin-3-ium-6-yl)ethanone chloride
Names & synonyms
6-Acetylperimidine hydrochloridePerimidine, 6-acetyl-, hydrochloride101831-63-4KETONE, METHYL 6-PERIMIDINYL, HYDROCHLORIDERefChem:350482
Database identifiers
- CAS
101831-63-4- PubChem CID
- 58920
- DTXSID
DTXSID70906661
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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