-
Name
1-ethylpyridine-5-carboxamide chloride
- EINECS
- CAS No. 14596-52-2
- Density
- Solubility
- Melting Point
- Formula C8H11ClN2O
- Boiling Point
- Molecular Weight 186.641
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Pyridinium,3-(aminocarbonyl)-1-ethyl-, chloride (9CI);Pyridinium, 3-carbamoyl-1-ethyl-,chloride (8CI);1-Ethyl-3-carbamoylpyridinium chloride;1-Ethylnicotinamidechloride;N1-Ethylnicotinamide chloride;N(1)-Ethylnicotinamide;3-Carbamoyl-1-ethylpyridinium chloride;
- PSA
- LogP
Pyridinium,3-(aminocarbonyl)-1-ethyl-, chloride (1:1) Specification
The Pyridinium,3-(aminocarbonyl)-1-ethyl-, chloride (1:1), with the CAS registry number 14596-52-2, is also known as 1-Ethyl-3-carbamoylpyridinium chloride. This chemical's molecular formula is C8H11ClN2O and molecular weight is 186.64. What's more, its systematic name is 3-carbamoyl-1-ethylpyridinium chloride.
Physical properties of Pyridinium,3-(aminocarbonyl)-1-ethyl-, chloride (1:1) are: (1)ACD/LogP: -1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.97; (4)ACD/LogD (pH 7.4): -1.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.01; (8)ACD/KOC (pH 7.4): 2.01; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 24.19 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(c1ccc[n+](c1)CC)N
(2)InChI: InChI=1S/C8H10N2O.ClH/c1-2-10-5-3-4-7(6-10)8(9)11;/h3-6H,2H2,1H3,(H-,9,11);1H
(3)InChIKey: PVXGLLAJVUMKTG-UHFFFAOYSA-N
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