1.0 2011-09-21 00:14:26 UTC 2019-11-26 03:21:03 UTC FDB022462 4-Aminophenol 4-aminophenol is considered a minor nephrotoxic metabolite of phenacetin and acetaminophen (paracetamol) in man. 4-Aminophenol can undergo autoxidations and metal-catalyzed and enzymatic oxidations in man to produce reactive oxygen species. (PMID 1713494) [HMDB] 1-Amino-4-hydroxybenzene 4-Amino-1-hydroxybenzene 4-Aminobenzenol 4-Aminophenol 4-Hydroxyaniline Aminophenol Energol Fouramine P p-Aminophenol p-Hydroxyaniline p-Hydroxyphenylamine Paramidophenol C6H7NO 109.1259 109.052763851 4-aminophenol aminophenol 123-30-8 NC1=CC=C(O)C=C1 InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 PLIKAWJENQZMHA-UHFFFAOYSA-N belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. Aniline and substituted anilines Organic compounds Benzenoids Benzene and substituted derivatives Aniline and substituted anilines Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Primary amines p-Aminophenols 1-hydroxy-2-unsubstituted benzenoid Amine Aminophenol Aniline or substituted anilines Aromatic homomonocyclic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound P-aminophenol Phenol Primary amine a phenol aminophenol Liquid logp 0.47 ALOGPS logs 0.04 ALOGPS solubility 1.21e+02 g/l ALOGPS logp 0.84 ChemAxon pka_strongest_acidic 10.4 ChemAxon pka_strongest_basic 5.43 ChemAxon iupac 4-aminophenol ChemAxon average_mass 109.1259 ChemAxon mono_mass 109.052763851 ChemAxon smiles NC1=CC=C(O)C=C1 ChemAxon formula C6H7NO ChemAxon inchi InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 ChemAxon inchikey PLIKAWJENQZMHA-UHFFFAOYSA-N ChemAxon polar_surface_area 46.25 ChemAxon refractivity 32.74 ChemAxon polarizability 11.23 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 1110 Specdb::MsIr 1111 Specdb::MsIr 1112 Specdb::NmrOneD 1653 Specdb::NmrOneD 2200 Specdb::NmrOneD 2893 Specdb::CMs 21366 Specdb::CMs 29775 Specdb::CMs 29832 Specdb::CMs 31749 Specdb::CMs 31750 Specdb::CMs 37954 Specdb::CMs 99662 Specdb::CMs 99663 Specdb::CMs 99664 Specdb::CMs 99665 Specdb::CMs 132857 Specdb::CMs 140591 Specdb::NmrTwoD 1594 Specdb::EiMs 1233 Specdb::MsMs 1445 Specdb::MsMs 1446 Specdb::MsMs 1447 Specdb::MsMs 313519 Specdb::MsMs 313520 Specdb::MsMs 313521 Specdb::MsMs 359029 Specdb::MsMs 359030 Specdb::MsMs 359031 Specdb::MsMs 452312 Specdb::MsMs 2233308 Specdb::MsMs 2253320 Specdb::MsMs 2811617 Specdb::MsMs 2811618 Specdb::MsMs 2811619 Specdb::MsMs 2894648 Specdb::MsMs 2894649 Specdb::MsMs 2894650 HMDB01169 17602 4NL #<Reference:0x000055ce32fbd320> #<Reference:0x000055ce32fbd140> #<Reference:0x000055ce32fbcf60> #<Reference:0x000055ce32fbcd58> #<Reference:0x000055ce32fbcb50> #<Reference:0x000055ce32fbc948> #<Reference:0x000055ce32fbc600> #<Reference:0x000055ce32fbc380> #<Reference:0x000055ce32fbc178> #<Reference:0x000055ce32fbdac8> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Milk (Cow) Type 2 specific Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823