5-METHYL-1,3,4-OXADIAZOL-2-YLAMINE

The 1,3,4-Oxadiazol-2-amine,5-methyl-, with CAS registry number 52838-39-8, belongs to the following product categories: (1)Amines; (2)Oxadiazoles & Thiadiazoles. It has the systematic name of 5-methyl-1,3,4-oxadiazol-2-amine. And the chemical formula of this chemical is C₃H₅N₃O.

Physical properties of 1,3,4-Oxadiazol-2-amine,5-methyl-: (1)ACD/LogP: -0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.9; (4)ACD/LogD (pH 7.4): -0.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.71; (8)ACD/KOC (pH 7.4): 7.71; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 42.16 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 23.79 cm³; (15)Molar Volume: 77.2 cm³; (16)Polarizability: 9.43×10^-24cm³; (17)Surface Tension: 57.8 dyne/cm; (18)Density: 1.283 g/cm³; (19)Flash Point: 92.2 °C; (20)Enthalpy of Vaporization: 46.54 kJ/mol; (21)Boiling Point: 228.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0719 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1,3,4-Oxadiazol-2-amine,5-methyl- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: n1nc(oc1C)N
(2)InChI: InChI=1/C3H5N3O/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)
(3)InChIKey: XPXWYVCQCNFIIJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C3H5N3O/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)
(5)Std. InChIKey: XPXWYVCQCNFIIJ-UHFFFAOYSA-N