CAS No.73398-89-7,Basic Violet 11:1 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	73398-89-7
Name:	Basic Violet 11:1

Formula:	2(C₂₉H₃₃N₂O₃)^.ZnCl₄
Molecular Weight:	1122.38
Synonyms:	3,6-Bis(diethylamino)-9-(2-(methoxycarbonyl)phenyl)xanthylium tetrachlorozincate;
EINECS:	277-459-0
Density:	1.31[at 20℃]
Solubility:	22.1g/L at 20℃
PSA:	91.84000
LogP:	16.78170

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Specification

The Basic Violet 11:1, with the CAS registry number 73398-89-7, is also known as Ammonium, ((6-(diethylamino)-9-(O-(methoxycarbonyl)phenyl)-3H-xanthen-3-ylidene)diethyl-, tetrachlorozincate(2-) (2:1). It belongs to the product category of Organic-metal salt. Its EINECS registry number is 277-459-0. This chemical's molecular formula is 2(C₂₉H₃₃N₂O₃)^.ZnCl₄and molecular weight is 1122.38. Its IUPAC name is called [6-(diethylamino)-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]-diethylazanium; tetrachlorozinc(2-).

Physical properties of Basic Violet 11:1: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 9; (3)Rotatable Bond Count: 16; (4)Exact Mass: 1120.299843; (5)MonoIsotopic Mass: 1118.302793; (6)Topological Polar Surface Area: 83.6; (7)Heavy Atom Count: 73; (8)Formal Charge: 0; (9)Complexity: 845.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl[Zn-2](Cl)(Cl)Cl.O=C(OC)c1ccccc1C=2c4ccc(N(CC)CC)cc4O\C\3=C\C(=[N+](/CC)CC)\C=C/C=2/3.O=C(OC)c4ccccc4C=1c3c(OC=2C=1\C=C/C(=[N+](/CC)CC)/C=2)cc(cc3)N(CC)CC
(2)InChI: InChI=1/2C29H33N2O3.4ClH.Zn/c2*1-6-30(7-2)20-14-16-24-26(18-20)34-27-19-21(31(8-3)9-4)15-17-25(27)28(24)22-12-10-11-13-23(22)29(32)33-5;;;;;/h2*10-19H,6-9H2,1-5H3;4*1H;/q2*+1;;;;;+2/p-4/r2C29H33N2O3.Cl4Zn/c2*1-6-30(7-2)20-14-16-24-26(18-20)34-27-19-21(31(8-3)9-4)15-17-25(27)28(24)22-12-10-11-13-23(22)29(32)33-5;1-5(2,3)4/h2*10-19H,6-9H2,1-5H3;/q2*+1;-2
(3)InChIKey: NILXVRMPJNDXNM-DXNDTAIYAX