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5863-46-7

Basic Information
CAS No.: 5863-46-7
Name: ACID BLUE 15
Molecular Structure:
Molecular Structure of 5863-46-7 (ACID BLUE 15)
Formula: C42H47N3O6S2.Na
Molecular Weight: 776.95
Synonyms: Benzenemethanaminium,N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-,hydroxide, inner salt, sodium salt;Benzenemethanaminium,N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-,inner salt, sodium salt (9CI);C.I. Acid Blue 15 (7CI);C.I. Acid Blue 15,sodium salt (8CI);Acid Blue 15;Acid Blue FF;Acid Coomassie Blue A;AcidLeather Blue RBF;Acid Pure Blue R;Azo Milling Blue B;Basacid Blue NB 621;Brilliant Acid Blue R;Brilliant Milling Blue B;Brilliant Milling Blue BA;Brilliant Milling Blue BW;Brilliant Milling Blue FF;Brilliant Milling BlueSBR;C.I. 42645;Colocid Brilliant Blue FF;Coomassie Brilliant Blue FF;Coomassie Brilliant Blue FFS;Coomassie Brilliant Lake Blue FF;DinacidBrilliant Blue B;Erio Brilliant Blue R;Fenazo Blue XFN;Indacid Blue FF;Lecotan Blue AL;Libacid Coomassie Blue LFF;Milling Blue FF;Monacid CoomarsiBlue FF;Naphthalene Leather Blue FF;Neran Brilliant Blue F;Optanol Blue B;Orient Water Blue 116;Pacid Coomassi Blue FF;Raviramine Blue BS;Rybacel BlueAR;Serva Blue W;Supranol Blue B;Supranol Blue B 222;Tertracid MillingBrilliant Blue B;Triacid Blue B;Triacor Royal Blue KRB;Vicoacid Blue 15;Water Blue 116;Xylene Brilliant Blue BC;Xylene Brilliant Blue FFRX;XyleneMilling Blue BC;
EINECS: 227-511-3
Density: 1.342[at 20℃]
PSA: 140.65000
LogP: 9.43900
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    ACID BLUE 15 Basic information Product Name: ACID BLUE 15 Synonyms: COOMASSIE BRILLIANT BLUE FF;CI NO 42665;CI 42645;ACID BLUE 15;benzenemethanaminium,n-[4-[[4-(diethylamino)-2-methy

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  • ACID BLUE 15  CAS NO.5863-46-7

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    ACID BLUE 15 CAS NO.5863-46-7

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Specification

This chemical is called Benzenemethanaminium,N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-,inner salt, sodium salt (1:1), and its CAS registry number is 5863-46-7. With the molecular formula of C42H47N3O6S2.Na, its molecular weight is 776.95. Additionally, its product category is Organics.

Other characteristics of the Benzenemethanaminium,N-[4-[[4-(diethylamino)-2-methylphenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-,inner salt, sodium salt (1:1) can be summarised as followings: (1)#H bond acceptors: 9; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 14; (4)Polar Surface Area: 134.99 Å2.

You can still convert the following datas into molecular structure:
1.SMILES: [Na+].[O-]S(=O)(=O)c1cccc(c1)CN(c2ccc(cc2)/C(=C\4/C=C\C(=[N+](\CC)Cc3cccc(c3)S([O-])(=O)=O)/C=C/4)c5ccc(N(CC)CC)cc5C)CC
2.InChI: InChI=1/C42H47N3O6S2.Na/c1-6-43(7-2)38-24-25-41(31(5)26-38)42(34-16-20-36(21-17-34)44(8-3)29-32-12-10-14-39(27-32)52(46,47)48)35-18-22-37(23-19-35)45(9-4)30-33-13-11-15-40(28-33)53(49,50)51;/h10-28H,6-9,29-30H2,1-5H3,(H-,46,47,48,49,50,51);/q;+1/p-1
3.InChIKey: IXNUVCLIRYUKFB-REWHXWOFAI