1.0 2010-04-08 22:09:20 UTC 2018-05-28 23:29:02 UTC FDB010867 Amaranth It is used in food colouring, banned by FDA for use in food, drugs and cosmetics. Permitted in the UK and some other countries [CCD]. 3-Hydroxy-4-[(4-sulfo-1-naphthalenyl)azo]-2,7-naphthalenedisulfonic acid, 9CI Amaranth R Amaranth S Azorubine S Bordeaux S C.I. 16185 C.I. Acid red 27, 8CI C.I. Food Red 9 E123 FD and C Red No. 2 C20H14N2O10S3 538.528 537.981056748 3-hydroxy-4-[(E)-2-(4-sulfonaphthalen-1-yl)diazen-1-yl]naphthalene-2,7-disulfonic acid 3-hydroxy-4-[(E)-2-(4-sulfonaphthalen-1-yl)diazen-1-yl]naphthalene-2,7-disulfonic acid 642-59-1 OC1=C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C2=CC=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O InChI=1S/C20H14N2O10S3/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)/b22-21+ IRPXADUBAQAOKL-QURGRASLSA-N belongs to the class of organic compounds known as 1,1'-azonaphthalenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to the 1-position of a naphthalene ring system. Naphthalene is a compound made up of two fused benzene rings. 1,1'-azonaphthalenes Organic compounds Benzenoids Naphthalenes 1,1'-azonaphthalenes Aromatic homopolycyclic compounds 1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds 2-naphthalene sulfonates 2-naphthalene sulfonic acids and derivatives Azo compounds Hydrocarbon derivatives Naphthols and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Sulfonyls 1,1'-azonaphthalene 1-naphthalene sulfonate 1-naphthalene sulfonic acid or derivatives 1-sulfo,2-unsubstituted aromatic compound 2-naphthalene sulfonate 2-naphthalene sulfonic acid or derivatives 2-naphthol Aromatic homopolycyclic compound Arylsulfonic acid or derivatives Azo compound Hydrocarbon derivative Naphthalene sulfonate Naphthalene sulfonic acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Propargyl-type 1,3-dipolar organic compound Sulfonyl logp -0.98 ALOGPS logs -4.28 ALOGPS solubility 2.80e-02 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic -3.4 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 3-hydroxy-4-[(E)-2-(4-sulfonaphthalen-1-yl)diazen-1-yl]naphthalene-2,7-disulfonic acid ChemAxon average_mass 538.528 ChemAxon mono_mass 537.981056748 ChemAxon smiles OC1=C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C2=CC=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O ChemAxon formula C20H14N2O10S3 ChemAxon inchi InChI=1S/C20H14N2O10S3/c23-20-18(35(30,31)32)10-11-9-12(33(24,25)26)5-6-13(11)19(20)22-21-16-7-8-17(34(27,28)29)15-4-2-1-3-14(15)16/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)/b22-21+ ChemAxon inchikey IRPXADUBAQAOKL-QURGRASLSA-N ChemAxon polar_surface_area 208.06 ChemAxon refractivity 127.13 ChemAxon polarizability 50.11 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 4 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16561 Specdb::CMs 43009 Specdb::CMs 259474 Specdb::CMs 259475 Specdb::CMs 259476 Specdb::CMs 259477 Specdb::CMs 259478 Specdb::CMs 259479 Specdb::CMs 259480 Specdb::CMs 281282 Specdb::NmrOneD 116478 Specdb::NmrOneD 116479 Specdb::NmrOneD 116480 Specdb::NmrOneD 116481 Specdb::NmrOneD 116482 Specdb::NmrOneD 116483 Specdb::NmrOneD 116484 Specdb::NmrOneD 116485 Specdb::NmrOneD 116486 Specdb::NmrOneD 116487 Specdb::NmrOneD 116488 Specdb::NmrOneD 116489 Specdb::NmrOneD 116490 Specdb::NmrOneD 116491 Specdb::NmrOneD 116492 Specdb::NmrOneD 116493 Specdb::NmrOneD 116494 Specdb::NmrOneD 116495 Specdb::NmrOneD 116496 Specdb::NmrOneD 116497 Specdb::MsMs 48417 Specdb::MsMs 48418 Specdb::MsMs 48419 Specdb::MsMs 176292 Specdb::MsMs 176293 Specdb::MsMs 176294 Specdb::MsMs 2412886 Specdb::MsMs 2412887 Specdb::MsMs 2412888 Specdb::MsMs 2550177 Specdb::MsMs 2550178 Specdb::MsMs 2550179 HMDB32885 #<Reference:0x000055ce31c43ec0>