The 2-Benzoxazolamine,6-methyl-, with the CAS registry number 188063-14-1, is also known as 6-Methylbenzo[d]oxazol-2-amine. This chemical's molecular formula is C8H8N2O and molecular weight is 148.16. What's more, its systematic name is called 6-Methyl-1,3-benzoxazol-2-amine.
Physical properties about 2-Benzoxazolamine,6-methyl- are: (1)ACD/LogP: 2.32; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.32; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 52.05 Å2; (9)Index of Refraction: 1.658; (10)Molar Refractivity: 43.54 cm3; (11)Molar Volume: 118.1 cm3; (12)Surface Tension: 55.7 dyne/cm; (13)Density: 1.254 g/cm3; (14)Flash Point: 131.4 °C; (15)Enthalpy of Vaporization: 53.32 kJ/mol; (16)Boiling Point: 293.6 °C at 760 mmHg; (17)Vapour Pressure: 0.00171 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc2c(c1)oc(n2)N
(2) InChI: InChI=1/C8H8N2O/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H2,9,10)
(3) InChIKey: HIZUIPJBTXPNHO-UHFFFAOYAB
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