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CAS No.: | 40483-47-4 |
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Name: | 5-METHYL-1,2,4-OXADIAZOL-3-AMINE |
Molecular Structure: | |
Formula: | C3H5N3O |
Molecular Weight: | 99.0922 |
Synonyms: | 3-Amino-5-methyl-1,2,4-oxadiazole; |
Density: | 1.283 g/cm3 |
Boiling Point: | 228.828 °C at 760 mmHg |
Flash Point: | 92.192 °C |
PSA: | 64.94000 |
LogP: | 0.54140 |
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This chemical is called 1,2,4-Oxadiazol-3-amine,5-methyl-, and its systematic name is 5-methyl-1,2,4-oxadiazol-3-amine. With the molecular formula of C3H5N3O, its molecular weight is 99.09. The CAS registry number of this chemical is 40483-47-4.
Other characteristics of the 1,2,4-Oxadiazol-3-amine,5-methyl- can be summarised as followings: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 9; (6)ACD/KOC (pH 7.4): 9; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 64.94 Å2; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 23.796 cm3; (13)Molar Volume: 77.231 cm3; (14)Polarizability: 9.434×10-24cm3; (15)Surface Tension: 57.886 dyne/cm; (16)Density: 1.283 g/cm3; (17)Flash Point: 92.192 °C; (18)Enthalpy of Vaporization: 46.543 kJ/mol; (19)Boiling Point: 228.828 °C at 760 mmHg; (20)Vapour Pressure: 0.072 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1nc(N)no1
2.InChI: InChI=1/C3H5N3O/c1-2-5-3(4)6-7-2/h1H3,(H2,4,6)
3.InChIKey: JEEUSAKCHSWJKO-UHFFFAOYAQ