1,2-Benzenediamine,4-(4-methyl-1-piperazinyl)- (54998-08-2)

The 4-(4-Methylpiperazino)-1,2-benzenediamine with cas registry number of 54998-08-2, has the systematic name of 4-(4-methylpiperazin-1-yl)benzene-1,2-diamine. And it is also called 1,2-benzenediamine, 4-(4-methyl-1-piperazinyl)-.

Physical properties about this chemical are: (1)ACD/LogP: -0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.23; (4)ACD/LogD (pH 7.4): -1.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.9; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.96 Å²; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 63.2 cm³; (15)Molar Volume: 177.3 cm³; (16)Polarizability: 25.05×10^-24cm³; (17)Surface Tension: 55 dyne/cm; (18)Enthalpy of Vaporization: 67.35 kJ/mol; (19)Vapour Pressure: 2.97E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-(4-Methylpiperazino)-1,2-benzenediamine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Besides this, it is harmful by inhalation, in contact with skin and if swallowed.

You can still convert the following datas into molecular structure:
(1)SMILES: c2c(N1CCN(C)CC1)ccc(N)c2N
(2)InChI: InChI=1/C11H18N4/c1-14-4-6-15(7-5-14)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7,12-13H2,1H3
(3)InChIKey: RTDKAEOVZXYWJW-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C11H18N4/c1-14-4-6-15(7-5-14)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7,12-13H2,1H3
(5)Std. InChIKey: RTDKAEOVZXYWJW-UHFFFAOYSA-N