1.0 2010-04-08 22:12:01 UTC 2017-04-03 04:55:52 UTC FDB015727 Erioglaucine A FDA permitted food colour for food and food contact paper or board (also as lakes) [DFC] Alphazurine Brilliant blue 9 C.I. 42090 C.I. Acid blue 9 C.I. Food blue 2 Disulphine lake blue EG E133 Eriosky blue FD and C Blue No. 1 Food blue 1 N-Ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfobenzenemethanaminium(1+) C37H37N2O9S3 749.893 749.166117862 N-ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(2-sulfophenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium N-ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(2-sulfophenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium 7664-41-7 CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=CC=C1S(O)(=O)=O InChI=1S/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)/p+1 CTRXDTYTAAKVSM-UHFFFAOYSA-O 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 cations Organic oxides Organopnictogen compounds Organosulfonic acids 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 cation Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Phenylbenzamine Secondary ketimine Sulfonyl Tertiary aliphatic/aromatic amine Tertiary amine logp -0.10 ALOGPS logs -6.33 ALOGPS solubility 3.66e-04 g/l ALOGPS logp 2.65 ChemAxon pka_strongest_acidic -2.4 ChemAxon pka_strongest_basic 3.5 ChemAxon iupac N-ethyl-4-[(4-{ethyl[(3-sulfophenyl)methyl]amino}phenyl)(2-sulfophenyl)methylidene]-N-[(3-sulfophenyl)methyl]cyclohexa-2,5-dien-1-iminium ChemAxon average_mass 749.893 ChemAxon mono_mass 749.166117862 ChemAxon smiles CCN(CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S(O)(=O)=O)C1=CC=CC=C1S(O)(=O)=O ChemAxon formula C37H37N2O9S3 ChemAxon inchi InChI=1S/C37H36N2O9S3/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48)/p+1 ChemAxon inchikey CTRXDTYTAAKVSM-UHFFFAOYSA-O ChemAxon polar_surface_area 169.36 ChemAxon refractivity 222.17 ChemAxon polarizability 77.26 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 10 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 60991 Specdb::NmrOneD 136930 Specdb::NmrOneD 136931 Specdb::NmrOneD 136932 Specdb::NmrOneD 136933 Specdb::NmrOneD 136934 Specdb::NmrOneD 136935 Specdb::NmrOneD 136936 Specdb::NmrOneD 136937 Specdb::NmrOneD 136938 Specdb::NmrOneD 136939 Specdb::NmrOneD 136940 Specdb::NmrOneD 136941 Specdb::NmrOneD 136942 Specdb::NmrOneD 136943 Specdb::NmrOneD 136944 Specdb::NmrOneD 136945 Specdb::NmrOneD 136946 Specdb::NmrOneD 136947 Specdb::NmrOneD 136948 Specdb::NmrOneD 136949 Specdb::MsMs 106575 Specdb::MsMs 106576 Specdb::MsMs 106577 Specdb::MsMs 173370 Specdb::MsMs 173371 Specdb::MsMs 173372 Specdb::MsMs 2820411 Specdb::MsMs 2820412 Specdb::MsMs 2820413 HMDB36785 #<Reference:0x000055ce327bf560>