1-Piperazineethanamine,4-(2-methylphenyl)- (58334-09-1)

The 4-(2-Methylphenyl)-1-piperazineethanamine, its cas register number is 58334-09-1. It also can be called as 2-(4-o-Tolyl-piperazin-1-yl)ethylamine and the Systematic name about this chemical is 2-[4-(2-methylphenyl)piperazin-1-yl]ethanamine.

Physical properties about 4-(2-Methylphenyl)-1-piperazineethanamine are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): -2.17; (3)ACD/LogD (pH 7.4): -0.72; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.72Ų; (12)Index of Refraction: 1.557; (13)Molar Refractivity: 67.71 cm³; (14)Molar Volume: 210.2 cm³; (15)Polarizability: 26.84x10^-24cm³; (16)Surface Tension: 41.9 dyne/cm; (17)Enthalpy of Vaporization: 59.45 kJ/mol; (18)Vapour Pressure: 4.55E-05 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: NCCN2CCN(c1ccccc1C)CC2
(2)InChI: InChI=1/C13H21N3/c1-12-4-2-3-5-13(12)16-10-8-15(7-6-14)9-11-16/h2-5H,6-11,14H2,1H3
(3)InChIKey: LBPUXJVDEJKNGK-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H21N3/c1-12-4-2-3-5-13(12)16-10-8-15(7-6-14)9-11-16/h2-5H,6-11,14H2,1H3
(5)Std. InChIKey: LBPUXJVDEJKNGK-UHFFFAOYSA-N