3-Carbamoyl-1-(2-hydroxyethyl)pyridin-1-ium chloride
Basic information
- CAS
7145-36-0- Standard SMILES
NC(=O)c1ccc[n+](CCO)c1.[Cl-]- InChIKey
QNAPGBWZTHIEEY-UHFFFAOYSA-N- Molecular formula
- C8H11ClN2O2
- Average molar mass
- 202.64 g/mol
- Monoisotopic mass
- 202.0509053
Names & identifiers
- Preferred name
- 3-Carbamoyl-1-(2-hydroxyethyl)pyridin-1-ium chloride
- IUPAC
- 1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide chloride
Names & synonyms
7145-36-0NSC742583-CARBAMOYL-1-(2-HYDROXYETHYL)PYRIDINIUM CHLORIDE3-(aminocarbonyl)-1-(2-hydroxyethyl)pyridinium chloride3-Carbamoyl-1-(2-hydroxyethyl)pyridin-1-ium chlorideSCHEMBL3062156DTXSID50385455NSC-74258AKOS0243405481-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide;chloride
Database identifiers
- CAS
7145-36-0- PubChem CID
- 2835577
- DTXSID
DTXSID50385455
Properties
Computed structural properties
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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