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Cas Database |
| Name |
3-Pyridinecarboxamide,1,6-dihydro-1-methyl-6-oxo- |
EINECS | N/A |
| CAS No. | 701-44-0 | Density | 1.3 g/cm3 |
| PSA | 65.09000 | LogP | 0.18450 |
| Solubility | N/A | Melting Point |
202-207°C (dec.) |
| Formula | C7H8N2O2 | Boiling Point | 396.7 °C at 760 mmHg |
| Molecular Weight | 152.153 | Flash Point | 193.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Nicotinamide,1,6-dihydro-1-methyl-6-oxo- (6CI,8CI);Nudifloramide (7CI);1,6-Dihydro-1-methyl-6-oxonicotinamide;1-Methyl-3-carboxamide-6-pyridone;1-Methyl-6-oxo-1,6-dihydronicotinamide;1-Methyl-6-pyridone-3-carboxylamide;3-Carbamoyl-1-methyl-6-pyridone;5-Aminocarbonyl-1-methyl-2(1H)-pyridone;N-Methyl-2-pyridinone-5-carboxamide;N-Methyl-2-pyridone-5-carboxamide;N-Methyl-5-carboxamide-2-pyridone;N1-Methyl-2-pyridone-5-carboxamide;1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide;3-pyridinecarboxamide, 1,6-dihydro-1-methyl-6-oxo-; |
Article Data | 14 |
3-Pyridinecarboxamide,1,6-dihydro-1-methyl-6-oxo- Specification
The 3-Pyridinecarboxamide,1,6-dihydro-1-methyl-6-oxo-, with the CAS registry number 701-44-0, has the systematic name of 1-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H8N2O2.
The characteristics of 3-Pyridinecarboxamide,1,6-dihydro-1-methyl-6-oxo- are as followings: (1)ACD/LogP: -1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.51; (4)ACD/LogD (pH 7.4): -1.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.6; (8)ACD/KOC (pH 7.4): 3.6; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 38.77 cm3; (15)Molar Volume: 117 cm3; (16)Polarizability: 15.37×10-24cm3; (17)Surface Tension: 55 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 193.7 °C; (20)Enthalpy of Vaporization: 64.7 kJ/mol; (21)Boiling Point: 396.7 °C at 760 mmHg; (22)Vapour Pressure: 1.68E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1/C=C\C(\C(=O)N)=C/N1C
(2)InChI: InChI=1/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)
(3)InChIKey: JLQSXXWTCJPCBC-UHFFFAOYAD
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