The 1,3,5-Triazin-2-amine,4-methoxy-6-(1-methylethyl)-, with the CAS registry number 82020-90-4, is also known as N-Isopropyl-6-methoxy-1,3,5-triazin-2,4-diamin. This chemical's molecular formula is C7H13N5O and molecular weight is 183.21. What's more, its systematic name is called 6-Methoxy-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 1,3,5-Triazin-2-amine,4-methoxy-6-(1-methylethyl)- are: (1)ACD/LogP: -0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.4; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.18; (8)ACD/KOC (pH 7.4): 14.63; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.38 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 50.27 cm3; (15)Molar Volume: 148.2 cm3; (16)Surface Tension: 57.4 dyne/cm; (17)Density: 1.235 g/cm3; (18)Flash Point: 174 °C; (19)Enthalpy of Vaporization: 61.03 kJ/mol; (20)Boiling Point: 364.1 °C at 760 mmHg; (21)Vapour Pressure: 1.72E-05 mmHg at 25 °C; (22)Melting Point: 115-117 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1nc(nc(n1)NC(C)C)N)C
(2) InChI: InChI=1/C7H13N5O/c1-4(2)9-6-10-5(8)11-7(12-6)13-3/h4H,1-3H3,(H3,8,9,10,11,12)
(3) InChIKey: YLWDRDHNCCNLDV-UHFFFAOYAF
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