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18520-54-2

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Basic Information
CAS No.: 18520-54-2
Name: 3,3'-(Terephthaloylbis(imino-p-phenylene))bis(1-propylpyridinium)di-p-toluenesulfonate
Molecular Structure:
Molecular Structure of 18520-54-2 (3,3'-(Terephthaloylbis(imino-p-phenylene))bis(1-propylpyridinium)di-p-toluenesulfonate)
Formula: C36H36N4O2•2C7H7O3S
Molecular Weight: 899.16
Synonyms: N,N-bis[4-(1-propylpyridin-5-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate;3,3-(Terephthaloylbis(imino-p-phenylene))bis(1-propylpyridinium) di-p-toluenesulfonate;Pyridinium, 3,3-(terephthaloylbis(imino-p-phenylene))bis(1-propyl-, di-p-toluenesulfonate;3,3-(Terephthaloyldiiminobis(p-phenylene))bis(1-propylpyridinium) di-p-toluenesulfonate;
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  • 3,3'-(TEREPHTHALOYLBIS(IMINO-P-PHENYLENE))BIS(1-PROPYLPYRIDINIUM P-TOLUENESULFONATE)

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    18520-54-2

    3,3'-(TEREPHTHALOYLBIS(IMINO-P-PHENYLENE))BIS(1-PROPYLPYRIDINIUM P-TOLUENESULFONATE)

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    3,3'-(TEREPHTHALOYLBIS(IMINO-P-PHENYLENE))BIS(1-PROPYLPYRIDINIUM P-TOLUENESULFONATE)Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by expre

    Welcome to Hangzhou Fandachem Co.,Ltd (www.FandaChem.com) Hangzhou Fandachem Co.,Ltd (Fandachem),an experienced and professional China-based Fine Chemical supplier. We supply the

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  • 3,3'-(Terephthaloylbis(imino-p-phenylene))bis(1-propylpyridinium)di-p-toluenesulfonate

  • Casno:

    18520-54-2

    3,3'-(Terephthaloylbis(imino-p-phenylene))bis(1-propylpyridinium)di-p-toluenesulfonate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Specification

This chemical is called 3,3'-(Terephthaloylbis(imino-p-phenylene))bis(1-propylpyridinium)di-p-toluenesulfonate, and its IUPAC name is1-N,4-N-bis[4-(1-propylpyridin-1-ium-3-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate. With the molecular formula of C36H36N4O2•2C7H7O3S, its molecular weight is 899.16. The CAS registry number of this chemical is 18520-54-2, and its classification codes are Drug / Therapeutic Agent; Mutation data. 

Other characteristics of the 3,3'-(Terephthaloylbis(imino-p-phenylene))bis(1-propylpyridinium)di-p-toluenesulfonate can be summarised as followings: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 8; (3)Rotatable Bond Count: 10; (4)Tautomer Count: 3; (5)Exact Mass: 898.307006; (6)MonoIsotopic Mass: 898.307006; (7)Topological Polar Surface Area: 197; (8)Heavy Atom Count: 64; (9)Formal Charge: 0; (10)Complexity: 951; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure: 
1.SMILES: [O-]S(=O)(=O)c1ccc(cc1)C.[O-]S(=O)(=O)c1ccc(cc1)C.O=C(Nc2ccc(c1ccc[n+](c1)CCC)cc2)c3ccc(cc3)C(=O)Nc5ccc(c4ccc[n+](c4)CCC)cc5
2.InChI: InChI=1/C36H34N4O2.2C7H8O3S/c1-3-21-39-23-5-7-31(25-39)27-13-17-33(18-14-27)37-35(41)29-9-11-30(12-10-29)36(42)38-34-19-15-28(16-20-34)32-8-6-24-40(26-32)22-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-20,23-26H,3-4,21-22H2,1-2H3;2*2-5H,1H3,(H,8,9,10)

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 59mg/kg (59mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979.