Basic information
- CAS
64881-07-8- Standard SMILES
CC(=O)C[n+]1cccc(C(N)=O)c1.[Cl-]- InChIKey
OMAXQGPZZFQQKV-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O2
- Average molar mass
- 214.65 g/mol
- Monoisotopic mass
- 214.0509053
Names & identifiers
- Preferred name
- 1-(2-Oxopropyl)pyridin-1-ium-3-carboxamide chloride
- IUPAC
- 1-(2-oxopropyl)pyridin-1-ium-3-carboxamide chloride
- English name
- 1-Acetonyl-3-carbamoylpyridinium chloride
- Molecular formula
- C9H11ClN2O2
- Molecular weight
- 214.65
Names & synonyms
64881-07-8SCHEMBL3066387DTXSID101380050AKOS024340549Pyridinium, 3-(aminocarbonyl)-1-(2-oxopropyl)-, chloride (1:1)1-Acetonyl-3-carbamoylpyridinium chloride
Database identifiers
- CAS
64881-07-8- PubChem CID
- 45050513
- DTXSID
DTXSID101380050
Properties
Computed structural properties
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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