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| CAS No.: | 7250-52-4 |
|---|---|
| Name: | 4-Methyl-3-pyridinecarboxamide |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C7H8N2O |
| Molecular Weight: | 136.153 |
| Synonyms: | Nicotinamide,4-methyl- (6CI,8CI);4-Methylnicotinamide;NSC 131712; |
| Density: | 1.157 g/cm3 |
| Melting Point: | 102-105 °C |
| Boiling Point: | 294.1 °C at 760 mmHg |
| Flash Point: | 131.6 °C |
| PSA: | 55.98000 |
| LogP: | 1.18920 |
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Specification
The 4-Methylnicotinamide, with the CAS registry number 7250-52-4, is also known as 4-Methyl-3-pyridinecarboxamide. It belongs to the product category of Amide. This chemical's molecular formula is C7H8N2O and molecular weight is 136.15. Its IUPAC name and systematic name are the same which is called 4-methylpyridine-3-carboxamide.
Physical properties of 4-Methylnicotinamide: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1.05; (6)ACD/BCF (pH 7.4): 1.09; (7)ACD/KOC (pH 5.5): 35.76; (8)ACD/KOC (pH 7.4): 36.93; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 38.09 cm3; (14)Molar Volume: 117.6 cm3; (15)Surface Tension: 50.4 dyne/cm; (16)Density: 1.157 g/cm3; (17)Flash Point: 131.6 °C; (18)Enthalpy of Vaporization: 53.37 kJ/mol; (19)Boiling Point: 294.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00166 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=NC=C1)C(=O)N
(2)InChI: InChI=1S/C7H8N2O/c1-5-2-3-9-4-6(5)7(8)10/h2-4H,1H3,(H2,8,10)
(3)InChIKey: SXKLOQCGXUTBNP-UHFFFAOYSA-N