1,3,5-Triazine-2,4,6-triamine,N2-methyl-

The 1,3,5-Triazine-2,4,6-triamine,N2-methyl-, with the CAS registry number 13452-77-2, is also known as Methylmelamine. This chemical's molecular formula is C₄H₈N₆ and molecular weight is 140.15. What's more, its systematic name is N2-Methyl-1,3,5-triazine-2,4,6-triamine. Its classification code is Drug / Therapeutic Agent.

Physical properties of 1,3,5-Triazine-2,4,6-triamine,N2-methyl- are: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.33; (8)ACD/KOC (pH 7.4): 13.91; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 48.39 Å²; (13)Index of Refraction: 1.767; (14)Molar Refractivity: 38.6 cm³; (15)Molar Volume: 93.1 cm³; (16)Polarizability: 15.3×10^-24cm³; (17)Surface Tension: 108.1 dyne/cm; (18)Density: 1.505 g/cm³; (19)Flash Point: 224.9 °C; (20)Enthalpy of Vaporization: 70.67 kJ/mol; (21)Boiling Point: 448.2 °C at 760 mmHg; (22)Vapour Pressure: 3.16E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC1=NC(=NC(=N1)N)N
(2)InChI: InChI=1S/C4H8N6/c1-7-4-9-2(5)8-3(6)10-4/h1H3,(H5,5,6,7,8,9,10)
(3)InChIKey: CTRPRMNBTVRDFH-UHFFFAOYSA-N

The toxicity data is as follows: