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| CAS No.: | 251101-36-7 |
|---|---|
| Name: | 3-METHYL-PYRIDINE-4-CARBOXAMIDE |
| Molecular Structure: | |
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| Formula: | C7H8N2O |
| Molecular Weight: | 136.153 |
| Synonyms: | 3-Methylisonicotinamide;3-methyl-4-nicotinamide;3-methyl-4-pyridinecarboxamide;4-Pyridinecarboxamide,3-methyl; |
| Density: | 1.157 g/cm3 |
| Boiling Point: | 290.8 °C at 760 mmHg |
| Flash Point: | 129.7 °C |
| PSA: | 55.98000 |
| LogP: | 1.18920 |
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- Total:18 Page 1 of 1 1
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Specification
This chemical is called 4-Pyridinecarboxamide, 3-methyl-, and its systematic name is 3-methylpyridine-4-carboxamide. With the molecular formula of C7H8N2O, its molecular weight is 136.15. The CAS registry number of this chemical is 251101-36-7. Additionally, its product categories are Amide; Pyridines.
Other characteristics of the 4-Pyridinecarboxamide, 3-methyl- can be summarised as followings: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.37; (8)ACD/KOC (pH 7.4): 29.78; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 38.09 cm3; (15)Molar Volume: 117.6 cm3; (16)Polarizability: 15.1×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.157 g/cm3; (19)Flash Point: 129.7 °C; (20)Enthalpy of Vaporization: 53.02 kJ/mol; (21)Boiling Point: 290.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00203 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccncc1C)N
2.InChI: InChI=1/C7H8N2O/c1-5-4-9-3-2-6(5)7(8)10/h2-4H,1H3,(H2,8,10)
3.InChIKey: QMDMUIQZTHZWGH-UHFFFAOYAD