1,3,5-Triazin-2-amine (4122-04-7)

The 2-Amino-1,3,5-triazine, with cas registry number 4122-04-7, has the systematic name of 1,3,5-triazin-2-amine. And its IUPAC name is the same one. And it is a kind of white to light yellow crystalline powder. What's more, this chemical irritates to eyes, respiratory system and skin. When use it, avoid contact with skin and eyes.

Physical properties about this chemical are: (1)ACD/LogP: -2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.05; (4)ACD/LogD (pH 7.4): -2.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.83; (8)ACD/KOC (pH 7.4): 1.83; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.91 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 24.76 cm³; (15)Molar Volume: 71.3 cm³; (16)Polarizability: 9.81×10^-24cm³; (17)Surface Tension: 83.1 dyne/cm; (18)Enthalpy of Vaporization: 57.69 kJ/mol; (19)Vapour Pressure: 0.000132 mmHg at 25°C.

Uses of 2-Amino-1,3,5-triazine: it can be used to produce 3-([1,3,5]triazin-2-ylamino)-propane-1-sulfonic acid amide. The yield is about 77%.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cnc(nc1)N
(2)InChI: InChI=1/C3H4N4/c4-3-6-1-5-2-7-3/h1-2H,(H2,4,5,6,7)
(3)InChIKey: KCZIUKYAJJEIQG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C3H4N4/c4-3-6-1-5-2-7-3/h1-2H,(H2,4,5,6,7)
(5)Std. InChIKey: KCZIUKYAJJEIQG-UHFFFAOYSA-N