Name: 2-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZYLAMINE
SKU: 879896-50-1

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Basic Information

Molecular Structure:
CAS No.:	879896-50-1
Name:	2-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZYLAMINE

Formula:	C₁₃H₂₁N₃
Molecular Weight:	219.3259
Synonyms:	[2-[(4-Methylpiperazin-1-yl)methyl]phenyl]methanamine;
Density:	1.06 g/cm³
Boiling Point:	330.743 °C at 760 mmHg
Flash Point:	151.675 °C
PSA:	32.50000
LogP:	1.46880

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Specification

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