CAS No.70261-81-3,1-METHYL-4-(4-NITROBENZYL)PIPERAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70261-81-3
Name:	1-METHYL-4-(4-NITROBENZYL)PIPERAZINE
Article Data:	22

Formula:	C₁₂H₁₇N₃O₂
Molecular Weight:	235.286
Synonyms:	1-Methyl-4-(4-nitrobenzyl)piperazine;piperazine, 1-methyl-4-[(4-nitrophenyl)methyl]-;
EINECS:	201-215-5
Density:	1.184 g/cm³
Boiling Point:	358.2 °C at 760 mmHg
Flash Point:	170.4 °C
PSA:	52.30000
LogP:	1.74120

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Specification

The Piperazine,1-methyl-4-[(4-nitrophenyl)methyl]-, with the CAS registry number 70261-81-3, has the systematic name of 1-methyl-4-(4-nitrobenzyl)piperazine. It belongs to the product category of API intermediates. And the molecular formula of the chemical is C₁₂H₁₇N₃O₂.

The characteristics of Piperazine,1-methyl-4-[(4-nitrophenyl)methyl]- are as followings: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 52.3 Å²; (7)Index of Refraction: 1.578 ; (8)Molar Refractivity: 65.99 cm³; (9)Molar Volume: 198.7 cm³; (10)Polarizability: 26.16×10^-24cm³; (11)Surface Tension: 48.4 dyne/cm; (12)Density: 1.184 g/cm³; (13)Flash Point: 170.4 °C; (14)Enthalpy of Vaporization: 60.36 kJ/mol; (15)Boiling Point: 358.2 °C at 760 mmHg; (16)Vapour Pressure: 2.6E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)CN2CCN(CC2)C
(2)InChI: InChI=1/C12H17N3O2/c1-13-6-8-14(9-7-13)10-11-2-4-12(5-3-11)15(16)17/h2-5H,6-10H2,1H3
(3)InChIKey: TZZWNVPIAQKNTG-UHFFFAOYAX