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The Benzenemethanamine,2-[(4-methyl-1-piperazinyl)methyl]- is an organic compound with the formula C13H21N3. The systematic name of this chemical is 1-{2-[(4-methylpiperazin-1-yl)methyl]phenyl}methanamine. With the CAS registry number 879896-50-1, it is also named as 2-(4-Methylpiperazin-1-ylmethyl)benzylamine.
Physical properties about Benzenemethanamine,2-[(4-methyl-1-piperazinyl)methyl]- are: (1)ACD/LogP: 0.52; (2)ACD/LogD (pH 5.5): -4; (3)ACD/LogD (pH 7.4): -3; (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: 32.5 Å2; (12)Index of Refraction: 1.57; (13)Molar Refractivity: 67.906 cm3; (14)Molar Volume: 206.861 cm3; (15)Polarizability: 26.92×10-24cm3; (16)Surface Tension: 44.812 dyne/cm; (17)Density: 1.06 g/cm3; (18)Flash Point: 151.675 °C; (19)Enthalpy of Vaporization: 57.335 kJ/mol; (20)Boiling Point: 330.743 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: NCc2ccccc2CN1CCN(C)CC1
(2)InChI: InChI=1/C13H21N3/c1-15-6-8-16(9-7-15)11-13-5-3-2-4-12(13)10-14/h2-5H,6-11,14H2,1H3
(3)InChIKey: OKGWICVOLZFMPE-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C13H21N3/c1-15-6-8-16(9-7-15)11-13-5-3-2-4-12(13)10-14/h2-5H,6-11,14H2,1H3
(5)Std. InChIKey: OKGWICVOLZFMPE-UHFFFAOYSA-N