This chemical is called 2(1H)-Pyridinone,4-(dimethylamino)-6-methyl-, and its systematic name is 4-(dimethylamino)-6-methylpyridin-2(1H)-one. With the molecular formula of C8H12N2O, its molecular weight is 152.19. The CAS registry number of this chemical is 137440-96-1. Additionally, its classification code is Drug / Therapeutic Agent.
Other characteristics of the 2(1H)-Pyridinone,4-(dimethylamino)-6-methyl- can be summarised as followings: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.07; (6)ACD/BCF (pH 7.4): 1.41; (7)ACD/KOC (pH 5.5): 33.89; (8)ACD/KOC (pH 7.4): 44.4; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 44.04 cm3; (15)Molar Volume: 140.1 cm3; (16)Polarizability: 17.46×10-24cm3; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.08 g/cm3; (19)Flash Point: 125.7 °C; (20)Enthalpy of Vaporization: 52.31 kJ/mol; (21)Boiling Point: 284.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00303 mmHg at 25°C.
Production method of this chemical: The 2(1H)-Pyridinone,4-(dimethylamino)-6-methyl- could be obtained by the reactant of 2-amino-3-cyano-4-dimethylamino-6-methylpyridine. This reaction needs the reagent of 100percent H3PO4. The yield is 57 %. In addition, this reaction should be taken for 1.5 hours at the temperature of 150-160 °C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1/C=C(/N(C)C)\C=C(/N1)C
2.InChI: InChI=1/C8H12N2O/c1-6-4-7(10(2)3)5-8(11)9-6/h4-5H,1-3H3,(H,9,11)
3.InChIKey: PPPYULUVIYHEJZ-UHFFFAOYAP
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 1gm/kg (1000mg/kg) | Pharmaceutical Chemistry Journal Vol. 25, Pg. 623, 1991. |
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