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| CAS No.: | 24108-33-6 |
|---|---|
| Name: | 3-Methyl-1,2,4-triazine |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C4H5N3 |
| Molecular Weight: | 95.10 |
| Synonyms: | as-Triazine,3-methyl- (8CI);3-Methyl-1,2,4-triazine; |
| Density: | 1.113 g/cm3 |
| Boiling Point: | 214.5 °C at 760 mmHg |
| Flash Point: | 98 °C |
| PSA: | 38.67000 |
| LogP: | 0.18000 |
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Specification
This chemical is called 1,2,4-Triazine, 3-methyl-, and its systematic name is 3-methyl-1,2,4-triazine. With the molecular formula of C4H5N3, its molecular weight is 95.10. The CAS registry number of this chemical is 24108-33-6.
Other characteristics of the 1,2,4-Triazine, 3-methyl- can be summarised as followings: (1)ACD/LogP: -0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.55; (4)ACD/LogD (pH 7.4): -0.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.96; (8)ACD/KOC (pH 7.4): 11.96; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.67 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 25.35 cm3; (15)Molar Volume: 85.3 cm3; (16)Polarizability: 10.05×10-24cm3; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.113 g/cm3; (19)Flash Point: 98 °C; (20)Enthalpy of Vaporization: 43.25 kJ/mol; (21)Boiling Point: 214.5 °C at 760 mmHg; (22)Vapour Pressure: 0.227 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1c(nncc1)C
2.InChI: InChI=1/C4H5N3/c1-4-5-2-3-6-7-4/h2-3H,1H3
3.InChIKey: RQAQLPFCVVKMSH-UHFFFAOYAY