The 1,3-Dimethyl-6-hydrazinouracil, with the CAS registry number 40012-14-4, is also known as 1,3-Dimethyl-6-hydrazinouracil. This chemical's molecular formula is C6H10N4O2 and molecular weight is 170.17. What's more, its systematic name is 6-Hydrazinyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione and its classification code is Drug / Therapeutic Agent.
Physical properties of 1,3-Dimethyl-6-hydrazinouracil are: (1)ACD/LogP: -0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.19; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.27; (8)ACD/KOC (pH 7.4): 14.07; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.1 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 42.72 cm3; (15)Molar Volume: 121.6 cm3; (16)Polarizability: 16.93×10-24 cm3; (17)Surface Tension: 65 dyne/cm; (18)Density: 1.39 g/cm3; (19)Flash Point: 143.9 °C; (20)Enthalpy of Vaporization: 55.54 kJ/mol; (21)Boiling Point: 314.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00047 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1C(=CC(=O)N(C1=O)C)NN
(2)InChI: InChI=1S/C6H10N4O2/c1-9-4(8-7)3-5(11)10(2)6(9)12/h3,8H,7H2,1-2H3
(3)InChIKey: HZJOVZZMDMNJJT-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mammal (species unspecified) | LD50 | intraperitoneal | 500 mg/kg (500 mg/kg) | Pharmaceutical Chemistry Journal Vol. 18, Pg. 322, 1984. | |
mouse | LD50 | intraperitoneal | 500 mg/kg (500 mg/kg) | Russian Pharmacology and Toxicology Vol. 47, Pg. 146, 1984. |
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