1.0 2010-04-08 22:12:42 UTC 2015-07-20 23:33:35 UTC FDB016867 C.I. Pigment Blue 63 Colour additive for food Acid Blue 74-aluminum lake Aluminum 3,3'-dioxo-(delta2,2-biindoline)-5,5'disulfonate C.I. Acid Blue 74-aluminum lake C.I. Food Blue 1-aluminum lake C.I. Food Blue 1:1 C.I. Pigment Blue 63 Certolake indigo carmine fd & c blue no. 2, aluminum lake FD&C Blue No. 2-aluminum lake FD&C BLUE NO. 2, ALUMINUM LAKE Food Blue No. 2-aluminum lake Indigo carmine-aluminum lake Indigo disulfonic acid, aluminum salt Indigotine-aluminum lake Japan Blue 2 Aluminum lake Japan Food Blue No. 2 Aluminum Lake Pigment Blue 63 C16H10AlN2O8S2 449.371 448.969395127 aluminium(3+) ion (E)-3,3'-dioxo-1H,1'H,3H,3'H-[2,2'-biindolylidene]-5,5'-disulfonic acid aluminium(3+) ion (E)-3,3'-dioxo-1H,1'H-[2,2'-biindolylidene]-5,5'-disulfonic acid 16521-38-3 [Al+3].OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1 InChI=1S/C16H10N2O8S2.Al/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);/q;+3/b14-13+; KKHVNJFMNFIZLB-IERUDJENSA-N belongs to the class of organic compounds known as indolines. Indolines are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. Indolines Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolines Aromatic heteropolycyclic compounds 1-sulfo,2-unsubstituted aromatic compounds Aryl ketones Azacyclic compounds Benzenoids Enamines Hydrocarbon derivatives Organic aluminium salts Organic cations Organic oxides Organopnictogen compounds Organosulfonic acids Secondary alkylarylamines Sulfonyls Vinylogous amides 1-sulfo,2-unsubstituted aromatic compound Amine Aromatic heteropolycyclic compound Aryl ketone Arylsulfonic acid or derivatives Azacycle Benzenoid Dihydroindole Enamine Hydrocarbon derivative Ketone Organic aluminium salt Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Secondary aliphatic/aromatic amine Secondary amine Sulfonyl Vinylogous amide logp -0.94 ALOGPS logs -3.63 ALOGPS solubility 9.96e-02 g/l ALOGPS logp 1.01 ChemAxon pka_strongest_acidic -2.8 ChemAxon pka_strongest_basic -7.7 ChemAxon iupac aluminium(3+) ion (E)-3,3'-dioxo-1H,1'H,3H,3'H-[2,2'-biindolylidene]-5,5'-disulfonic acid ChemAxon average_mass 449.371 ChemAxon mono_mass 448.969395127 ChemAxon smiles [Al+3].OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1 ChemAxon formula C16H10AlN2O8S2 ChemAxon inchi InChI=1S/C16H10N2O8S2.Al/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);/q;+3/b14-13+; ChemAxon inchikey KKHVNJFMNFIZLB-IERUDJENSA-N ChemAxon polar_surface_area 166.94 ChemAxon refractivity 101.29 ChemAxon polarizability 39.7 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 10 ChemAxon donor_count 4 ChemAxon physiological_charge -2 ChemAxon formal_charge 3 ChemAxon Specdb::MsMs 71091 Specdb::MsMs 71092 Specdb::MsMs 71093 Specdb::MsMs 129705 Specdb::MsMs 129706 Specdb::MsMs 129707 HMDB37737 #<Reference:0x000055ce2c582078>