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915707-44-7

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Basic Information
CAS No.: 915707-44-7
Name: lithium 2-[(4-methylpiperazin-1-yl)methyl]benzoate
Molecular Structure:
Molecular Structure of 915707-44-7 (lithium 2-[(4-methylpiperazin-1-yl)methyl]benzoate)
Formula: C13H18LiN2O2
Molecular Weight: 240.231
Synonyms: lithium 2-[(4-methylpiperazin-1-yl)methyl]benzoate;[(4-Methylpiperazin-1-yl)methyl]benzoic acid, lithium salt
Melting Point: 337 °C
PSA: 46.61000
LogP: -0.32670
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Specification

The Benzoicacid, 2-[(4-methyl-1-piperazinyl)methyl]-, lithium salt (1:1), with CAS registry number 915707-44-7, has the systematic name of lithium 2-[(4-methylpiperazin-1-yl)methyl]benzoate. This chemical is harmuful. When use this chemical, please be caution about it. And the chemical formula of this chemical is C13H18LiN2O2.

Physical properties of Benzoicacid, 2-[(4-methyl-1-piperazinyl)methyl]-, lithium salt (1:1): (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 46.61 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Li+].CN1CCN(CC1)Cc2ccccc2C(=O)[O-]
(2)InChI: InChI=1/C13H18N2O2.Li/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13(16)17;/h2-5H,6-10H2,1H3,(H,16,17);/q;+1/p-1
(3)InChIKey: BHMRBFXQIGCNNV-REWHXWOFAE
(4)Std. InChI: InChI=1S/C13H18N2O2.Li/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13(16)17;/h2-5H,6-10H2,1H3,(H,16,17);/q;+1/p-1
(5)Std. InChIKey: BHMRBFXQIGCNNV-UHFFFAOYSA-M