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Name |
6-Methylnicotinamide |
EINECS | 204-624-6 |
CAS No. | 6960-22-1 | Density | 1.157 g/cm3 |
PSA | 55.98000 | LogP | 1.18920 |
Solubility | N/A | Melting Point |
197-199 °C(lit.) |
Formula | C7H8N2O | Boiling Point | 289.4 °C at 760 mmHg |
Molecular Weight | 136.153 | Flash Point | 128.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Nicotinamide,6-methyl- (6CI,7CI,8CI);6-Methylnicotinamide;6-Methylnicotinic acid amide;6-Methylpyridine-3-carboxamide;NSC 69797; |
Article Data | 13 |
The CAS register number of 6-Methylnicotinamide is 6960-22-1. It also can be called as 3-Pyridinecarboxamide,6-methyl- and the IUPAC name about this chemical is 6-methylpyridine-3-carboxamide. The molecular formula about this chemical is C7H8N2O and the molecular weight is 136.15. It belongs to the following product categories which include Amide; Pyridines; Heterocyclic Compounds; C7 and C8; Heterocyclic Building Blocks and so on.
Physical properties about 6-Methylnicotinamide are: (1)ACD/LogP: 0.35; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/LogD (pH 7.4): 0.35; (4)ACD/BCF (pH 5.5): 1.05; (5)ACD/BCF (pH 7.4): 1.09; (6)ACD/KOC (pH 5.5): 35.61; (7)ACD/KOC (pH 7.4): 36.93; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 33.2Å2; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 38.09 cm3; (14)Molar Volume: 117.6 cm3; (15)Polarizability: 15.1x10-24cm3; (16)Surface Tension: 50.4 dyne/cm; (17)Enthalpy of Vaporization: 52.87 kJ/mol; (18)Boiling Point: 289.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00221 mmHg at 25°C.
Preparation: this chemical can be prepared by 6-methyl-nicotinic acid ethyl ester. This reaction will need reagent aqueous NH3.
Uses of 6-Methylnicotinamide: it can be used to produce 6-methyl-pyridin-3-ylamine. This reaction will need reagent NaOCl and aqueous KOH.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cnc(cc1)C)N
(2)InChI: InChI=1/C7H8N2O/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10)
(3)InChIKey: IJXDURUAYOKSIS-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C7H8N2O/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10)
(5)Std. InChIKey: IJXDURUAYOKSIS-UHFFFAOYSA-N