1-(3-Amino-3-oxopropyl)-4-cyanopyridin-1-ium chloride
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Basic information
- CAS
105624-84-8- Standard SMILES
N#Cc1cc[n+](CCC(N)=O)cc1.[Cl-]- InChIKey
ZYXXDIPNBSRZSY-UHFFFAOYSA-N- Molecular formula
- C9H10ClN3O
- Average molar mass
- 211.65 g/mol
- Monoisotopic mass
- 211.05123962
Names & identifiers
- Preferred name
- 1-(3-Amino-3-oxopropyl)-4-cyanopyridin-1-ium chloride
- IUPAC
- 3-(4-cyanopyridin-1-ium-1-yl)propanamide chloride
Names & synonyms
105624-84-81-(3-Amino-3-oxopropyl)-4-cyanopyridin-1-ium chlorideDTXSID10579570RefChem:224173DTXCID80530335Pyridinium, 1-(3-amino-3-oxopropyl)-4-cyano-, chlorideSCHEMBL7328130ZYXXDIPNBSRZSY-UHFFFAOYSA-NH812341-(2-carbamoylethyl)-4-cyanopyridinium chlorideN-(2-carbamoylethyl)-4-cyanopyridinium chloride
Database identifiers
- CAS
105624-84-8- PubChem CID
- 15919072
- DTXSID
DTXSID10579570
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Related reactions
4 records
Compound notes
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