1.0 2010-04-08 22:13:55 UTC 2017-04-03 05:02:09 UTC FDB018755 Fast green FCF aluminium salt FDA permitted colourant for foods and food contact paper or board [DFC] Fast green FCF aluminium salt C37H34AlN2O10S3 789.85 789.119095829 aluminium(3+) ion 5-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzene-1-sulfonate aluminium(3+) ion 5-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzenesulfonate 7647-14-5 [Al+3].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(C1=CC(=C(O)C=C1)S([O-])(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O InChI=1S/C37H36N2O10S3.Al/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)31-16-11-28(12-17-31)37(30-15-20-35(40)36(23-30)52(47,48)49)29-13-18-32(19-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);/q;+3/p-2 FFYCBNFPIFHNIP-UHFFFAOYSA-L 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-hydroxy-2-unsubstituted benzenoids 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Aralkylamines Azomethines Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Benzylamines Dialkylarylamines Diphenylmethanes Hydrocarbon derivatives Organic aluminium salts Organic cations Organic oxides Organooxygen compounds Organopnictogen compounds Organosulfonic acids Secondary ketimines Sulfonyls 1-hydroxy-2-unsubstituted benzenoid 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 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 Phenol Phenylbenzamine Secondary ketimine Sulfonyl Tertiary aliphatic/aromatic amine Tertiary amine logp 2.55 ALOGPS logs -7.28 ALOGPS solubility 4.91e-05 g/l ALOGPS logp 2.97 ChemAxon pka_strongest_acidic -2.4 ChemAxon pka_strongest_basic 3.53 ChemAxon iupac aluminium(3+) ion 5-[(4-{ethyl[(3-sulfonatophenyl)methyl]amino}phenyl)(4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzene-1-sulfonate ChemAxon average_mass 789.85 ChemAxon mono_mass 789.119095829 ChemAxon smiles [Al+3].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(C1=CC(=C(O)C=C1)S([O-])(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC1=CC(=CC=C1)S([O-])(=O)=O ChemAxon formula C37H34AlN2O10S3 ChemAxon inchi InChI=1S/C37H36N2O10S3.Al/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)31-16-11-28(12-17-31)37(30-15-20-35(40)36(23-30)52(47,48)49)29-13-18-32(19-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);/q;+3/p-2 ChemAxon inchikey FFYCBNFPIFHNIP-UHFFFAOYSA-L ChemAxon polar_surface_area 198.08 ChemAxon refractivity 220.78 ChemAxon polarizability 78.12 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 11 ChemAxon donor_count 1 ChemAxon physiological_charge -2 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 70092 Specdb::MsMs 70093 Specdb::MsMs 70094 Specdb::MsMs 128526 Specdb::MsMs 128527 Specdb::MsMs 128528 HMDB39223