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| CAS No.: | 70-57-5 |
|---|---|
| Name: | 5-METHYLNICOTINAMIDE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H8N2O |
| Molecular Weight: | 136.153 |
| Synonyms: | Nicotinamide,5-methyl- (7CI,8CI);5-Methyl-3-pyridinecarboxamide;5-Methylnicotinamide;NSC87668; |
| EINECS: | -0 |
| Density: | 1.157g/cm3 |
| Melting Point: | 166-168°C |
| Boiling Point: | 290 °C at 760 mmHg |
| Flash Point: | 129.2 °C |
| Risk Codes: | 22-24/25 |
| Safety: | 22-24/25 |
| PSA: | 55.98000 |
| LogP: | 1.18920 |
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- Total:29 Page 1 of 1 1
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Specification
The 3-Pyridinecarboxamide,5-methyl-, with CAS registry number 70-57-5, belongs to the following product categories: (1)Amide; (2)Pyridines. It has the systematic name of 5-methylpyridine-3-carboxamide. And the chemical formula of this chemical is C7H8N2O. When use this chemical, do not breathe dust and avoid contact with skin and eyes.
Physical properties of 3-Pyridinecarboxamide,5-methyl-: (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): 1.07; (6)ACD/BCF (pH 7.4): 1.09; (7)ACD/KOC (pH 5.5): 36.44; (8)ACD/KOC (pH 7.4): 36.94; (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: 129.2 °C; (20)Enthalpy of Vaporization: 52.93 kJ/mol; (21)Boiling Point: 290 °C at 760 mmHg; (22)Vapour Pressure: 0.00213 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cncc(c1)C)N
(2)InChI: InChI=1/C7H8N2O/c1-5-2-6(7(8)10)4-9-3-5/h2-4H,1H3,(H2,8,10)
(3)InChIKey: BCCUXBGEPLKSEX-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H8N2O/c1-5-2-6(7(8)10)4-9-3-5/h2-4H,1H3,(H2,8,10)
(5)Std. InChIKey: BCCUXBGEPLKSEX-UHFFFAOYSA-N