1.0 2010-04-08 22:09:37 UTC 2015-07-20 22:40:18 UTC FDB011415 C.I. Acid Violet 49 Dye, use now prohibited in food a.f. violet no 1 A.F. Violet No. 1 acid fast violet 5bn Acid violet acid violet 49 acid violet 4bnp acid violet 4bns Acid Violet 5B acid violet 5bn Acid Violet 6B Acid violet s acilan violet s4bn Acilon Violet S 4BN AF Violet No. 1 aizen acid violet 5bh aizen food violet no. 1 atlantic acid violet 4bns Benzyl violet Benzyl violet 3B BENZYL VIOLET 48 Benzyl Violet 4B C.I. 42640 C.I. Acid Violet 49 (sodium salt) C.I. Food Violet 2 calcocid violet 4bns CI Acid Violet 49 CI Acid Violet 49, sodium salt CI Food Violet 2 cogilor violet 411.12 Coomassie violet d and c violet no. 1 eriosin violet 3b fast acid violet 5bn FD & C VIOLE T #1 (BENZYL VIOLET 48) FD & C VIOLET #1 (BENZYL VIOLET 48) fd & c violet 1 FD & C violet no. 1 FD and C Violet 1 FD and C Violet No. 1 FD&C Violet No. 1 food violet 2 formyl violet s4bn hidacid wool violet 5b intracid violet 4bns kiton violet 4bns N-[4-[[4-(Dimethylamino)phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfobenzenemethanaminium inner salt, 9CI orient water violet 1 pergacid violet 2b pergacid violet 3b polaxal viol et 6b Polaxal Violet 6B serva violet 49 sol ar violet 5bn Solar Violet 5BN Tertracid Brilliant Violet 6B tetracid brilliant violet 6b violet 2 violet 5b violet 5bn violet 6b violet no. 1 Wool Violet wool violet 4bn Wool Violet 5BN C39H41N3O6S2 711.889 711.243677439 3-{[(4-{[4-(dimethylamino)phenyl](4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)(ethyl)azaniumyl]methyl}benzene-1-sulfonate 3-{[(4-{[4-(dimethylamino)phenyl](4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)(ethyl)ammonio]methyl}benzenesulfonate 1694-09-3 CCN(CC1=CC=CC(=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O InChI=1S/C39H41N3O6S2/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) IHZXTIBMKNSJCJ-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine. Phenylbenzamines Organic compounds Benzenoids Benzene and substituted derivatives Phenylmethylamines Aromatic homomonocyclic compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Aralkylamines Azomethines Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Benzylamines Dialkylarylamines Diphenylmethanes Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Secondary ketimines Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Amine Aniline or substituted anilines Aralkylamine Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Azomethine Benzenesulfonate Benzenesulfonyl group Benzylamine Dialkylarylamine Diphenylmethane Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organic zwitterion Organonitrogen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Phenylbenzamine Propargyl-type 1,3-dipolar organic compound Secondary ketimine Sulfonyl Tertiary aliphatic/aromatic amine Tertiary amine logp 2.10 ALOGPS logs -6.84 ALOGPS solubility 1.11e-04 g/l ALOGPS logp 2.52 ChemAxon pka_strongest_acidic -2.2 ChemAxon pka_strongest_basic 4.57 ChemAxon iupac 3-{[(4-{[4-(dimethylamino)phenyl](4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)methylidene}cyclohexa-2,5-dien-1-ylidene)(ethyl)azaniumyl]methyl}benzene-1-sulfonate ChemAxon average_mass 711.889 ChemAxon mono_mass 711.243677439 ChemAxon smiles CCN(CC1=CC=CC(=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O ChemAxon formula C39H41N3O6S2 ChemAxon inchi InChI=1S/C39H41N3O6S2/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) ChemAxon inchikey IHZXTIBMKNSJCJ-UHFFFAOYSA-N ChemAxon polar_surface_area 121.06 ChemAxon refractivity 224.85 ChemAxon polarizability 77.35 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 8 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 57988 Specdb::MsMs 81147 Specdb::MsMs 81148 Specdb::MsMs 81149 Specdb::MsMs 142185 Specdb::MsMs 142186 Specdb::MsMs 142187 Specdb::MsMs 2697399 Specdb::MsMs 2697400 Specdb::MsMs 2697401 Specdb::MsMs 2981996 Specdb::MsMs 2981997 Specdb::MsMs 2981998 HMDB33385 #<Reference:0x000055ce31993798>