The 1, 3, 4-Oxadiazole-2-methanamine, 5-methyl-, with the CAS registry number of 125295-22-9, is also known as 1-(5-Methyl-1, 3, 4-oxadiazol-2-yl)methanamine. This chemical's molecular formula is C4H7N3O and molecular weight is 113.12. What's more, its IUPAC name is (5-Methyl-1, 3, 4-oxadiazol-2-yl)methanamine. Besides, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 1, 3, 4-Oxadiazole-2-methanamine, 5-methyl- are: (1)ACD/LogP: -0.55; (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): 2; (6)ACD/KOC (pH 7.4): 11; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 64.94 Å2; (11)Index of Refraction: 1.502; (12)Molar Refractivity: 28.012 cm3; (13)Molar Volume: 94.939 cm3; (14)Surface Tension: 50.463 dyne/cm; (15)Density: 1.192 g/cm3; (16)Flash Point: 88.697 °C; (17)Enthalpy of Vaporization: 45.952 kJ/mol; (18)Boiling Point: 223.048 °C at 760 mmHg; (19)Vapour Pressure: 0.098 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1nnc(o1)CN
(2) InChI: InChI=1/C4H7N3O/c1-3-6-7-4(2-5)8-3/h2,5H2,1H3
(3) InChIKey: XCCHRWGNGFXIPS-UHFFFAOYAG
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