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| CAS No.: | 24867-36-5 |
|---|---|
| Name: | 5-Nitro-2,4,6-triaminopyrimidine |
| Molecular Structure: | |
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| Formula: | C4H6N6O2 |
| Molecular Weight: | 170.131 |
| Synonyms: | Pyrimidine,2,4,6-triamino-5-nitro- (6CI,7CI,8CI); |
| Density: | 1.799 g/cm3 |
| Boiling Point: | 616.9 °C at 760 mmHg |
| Flash Point: | 326.9 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 149.66000 |
| LogP: | 1.39820 |
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Specification
The 2,4,6-Pyrimidinetriamine,5-nitro-, with the CAS registry number 24867-36-5, is also known as 5-Nitro-2,4,6-triaminopyrimidine. This chemical's molecular formula is C4H6N6O2 and molecular weight is 170.1294. Its IUPAC name is called 5-nitropyrimidine-2,4,6-triamine.
Physical properties of 2,4,6-Pyrimidinetriamine,5-nitro-: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.63; (6)ACD/BCF (pH 7.4): 3.66; (7)ACD/KOC (pH 5.5): 87.49; (8)ACD/KOC (pH 7.4): 88.02; (9)#H bond acceptors: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.834; (13)Molar Refractivity: 41.68 cm3; (14)Molar Volume: 94.5 cm3; (15)Surface Tension: 145.7 dyne/cm; (16)Density: 1.799 g/cm3; (17)Flash Point: 326.9 °C; (18)Enthalpy of Vaporization: 91.49 kJ/mol; (19)Boiling Point: 616.9 °C at 760 mmHg; (20)Vapour Pressure: 3.78E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1c(nc(nc1N)N)N
(2)InChI: InChI=1/C4H6N6O2/c5-2-1(10(11)12)3(6)9-4(7)8-2/h(H6,5,6,7,8,9)
(3)InChIKey: IFMCROIMZMUGRF-UHFFFAOYAG