N(1)-Ethylnicotinamide
Basic information
- CAS
14596-52-2- Standard SMILES
CC[n+]1cccc(C(N)=O)c1.[Cl-]- InChIKey
PVXGLLAJVUMKTG-UHFFFAOYSA-N- Molecular formula
- C8H11ClN2O
- Average molar mass
- 186.64 g/mol
- Monoisotopic mass
- 186.0559907
Overview
RN given refers to chloride; structure given in first source
Names & identifiers
- Preferred name
- N(1)-Ethylnicotinamide
- IUPAC
- 1-ethylpyridin-1-ium-3-carboxamide chloride
Names & synonyms
N(1)-Ethylnicotinamide14596-52-2RefChem:160616Pyridinium, 3-(aminocarbonyl)-1-ethyl-, chloride1-ethylpyridin-1-ium-3-carboxamide;chloride
Database identifiers
- CAS
14596-52-2- PubChem CID
- 84546
Properties
Computed structural properties
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
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Compound notes
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