N-(4,6-DIMETHYLPYRIMIDIN-2-YL)BENZENE-1,4-DIAMINE

The 1,4-Benzenediamine,N1-(4,6-dimethyl-2-pyrimidinyl)-, with the CAS registry number 81261-93-0, is also known as 2-[N-(4-Aminophenyl)amino]-4,6-dimethylpyrimidine and N-(4-Aminophenyl)-4,6-dimethyl-2-pyrimidinamine. This chemical's molecular formula is C₁₂H₁₄N₄ and molecular weight is 214.27. What's more, its systematic name is N-(4,6-Dimethylpyrimidin-2-yl)benzene-1,4-diamine.

Physical properties about 1,4-Benzenediamine,N1-(4,6-dimethyl-2-pyrimidinyl)- are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 3.61; (6)ACD/BCF (pH 7.4): 4.45; (7)ACD/KOC (pH 5.5): 82.22; (8)ACD/KOC (pH 7.4): 101.31; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.26 Å²; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 65.69 cm³; (15)Molar Volume: 176.7 cm³; (16)Polarizability: 26.04×10^-24 cm³; (17)Surface Tension: 59 dyne/cm; (18)Density: 1.212 g/cm³; (19)Flash Point: 213.8 °C; (20)Enthalpy of Vaporization: 68.53 kJ/mol; (21)Boiling Point: 429.9 °C at 760 mmHg; (22)Vapour Pressure: 1.35E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause inflammation to the skin or other mucous membranes. In addition, this chemical irritates to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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: n1c(cc(nc1Nc2ccc(N)cc2)C)C
(2) InChI: InChI=1/C12H14N4/c1-8-7-9(2)15-12(14-8)16-11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)
(3) InChIKey: SFVBOQCTJBQABR-UHFFFAOYAX