The Acid Violet 49, with the CAS registry number 1694-09-3, is also known as Benzenemethanaminium, N-[4-[[4-(dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt. It belongs to the product categories of Dyes and Pigments; Organics . Its EINECS number is 216-901-9. This chemical's molecular formula is C39H41N3O6S2·Na and molecular weight is 734.88. What's more, its systematic name is (4-((4-(Dimethylamino)phenyl)(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium, sodium salt. Its classification codes are: (1)Mutation data; (2)Tumor data. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. It is used for staining in wool, silk and nylon.
Physical properties of Acid Violet 49 are: (1)#H bond acceptors: 9; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 123.99 Å2.
When you are using this chemical, please be cautious about it as the following:
This chemical has a limited evidence of a carcinogenic effect. When using it, you need wear suitable protective clothing and gloves. This chemical should be avoided exposure, and you need to obtain special instructions before use.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=S(=O)(O)c1cccc(c1)CN(c5ccc(/C(=C\2/C=C\C(=[N+](\C)C)/C=C/2)c4ccc(N(Cc3cccc(c3)S([O-])(=O)=O)CC)cc4)cc5)CC
(2)Std. InChI: InChI=1S/C39H41N3O6S2.Na/c1-5-41(27-29-9-7-11-37(25-29)49(43,44)45)35-21-15-32(16-22-35)39(31-13-19-34(20-14-31)40(3)4)33-17-23-36(24-18-33)42(6-2)28-30-10-8-12-38(26-30)50(46,47)48;/h7-26H,5-6,27-28H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1
(3)Std. InChIKey: AXMCIYLNKNGNOT-UHFFFAOYSA-N
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