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Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > (-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt
(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt structure, CAS 128173-53-5

(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt

CAS Number128173-53-5

SynonymsExact Mass 1070.448853; PSA 262.18000; LogP 7.75836; InChIKey XADVDTANOZJZTP-WQXCQFITSA-N

Molecular FormulaC20H23FN2O2 · 0.5C20H18O8

Molecular Weight535.58

Purity98.00%

Density

Boiling Point

Melting Point134-135ºC

Flash Point

Appearance

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Cat. No.: 2A-9051877 Purity: 98.00%
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Quality Control of [ 128173-53-5 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number128173-53-5
Catalog No.2A-9051877
Chinese NameD-DTTA 盐
SynonymsExact Mass 1070.448853; PSA 262.18000; LogP 7.75836; InChIKey XADVDTANOZJZTP-WQXCQFITSA-N
Molecular FormulaC20H23FN2O2 · 0.5C20H18O8
Molecular Weight535.58
Purity98.00
Melting Point134-135ºC
SMILESFc5ccc(cc5)[C@@](O)(CCCN(C)C)c6c(cc(cc6)C#N)CO.Fc3ccc(cc3)[C@@](O)(CCCN(C)C)c4c(cc(cc4)C#N)CO.O([C@@H]([C@H](OC(=O)c2ccc(cc2)C)C(=O)O)C(=O)O)C(=O)c1ccc(cc1)C
InChI1S/2C20H23FN2O2.C20H18O8/c2*1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24;1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h2*4-9,12,24-25H,3,10-11,14H2,1-2H3;3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t2*20-;15-,16-/m000/s1
InChI KeyXADVDTANOZJZTP-XZWFXUMZSA-N
NACRES CodeNA.24
UNSPSC41116107
MSDSmsds/51877_1_128173_53_5.pdf
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