1.0 2020-05-06 19:41:21 UTC 2020-05-07 14:45:38 UTC BMDB0109695 2-Aminophenol 2-Aminobenzenol 2-Hydroxyaniline O-Aminophenol O-Hydroxyaniline ortho-Aminophenol 2-Aminophenol, ion (1+) 2-Aminophenol, hydrochloride 2-Aminophenol, monopotassium salt 2-Aminophenol, monosodium salt C6H7NO 109.1259 109.052763851 2-aminophenol 2-aminophenol 95-55-6 NC1=CC=CC=C1O InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 CDAWCLOXVUBKRW-UHFFFAOYSA-N belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. Organic compounds Benzenoids Benzene and substituted derivatives Aniline and substituted anilines Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds Primary amines o-Aminophenols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Amine Aminophenol Aniline or substituted anilines Aromatic homomonocyclic compound Hydrocarbon derivative O-aminophenol Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Primary amine Aromatic homomonocyclic compounds a phenol aminophenol logp 0.35 ALOGPS logs 0.02 ALOGPS logp 0.84 ChemAxon pka_strongest_acidic 10.35 ChemAxon pka_strongest_basic 4.52 ChemAxon iupac 2-aminophenol ChemAxon average_mass 109.1259 ChemAxon mono_mass 109.052763851 ChemAxon smiles NC1=CC=CC=C1O ChemAxon formula C6H7NO ChemAxon inchi InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 ChemAxon inchikey CDAWCLOXVUBKRW-UHFFFAOYSA-N ChemAxon polar_surface_area 46.25 ChemAxon refractivity 32.74 ChemAxon polarizability 11.16 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 1123 Specdb::CMs 1232 Specdb::CMs 29703 Specdb::CMs 31747 Specdb::CMs 31748 Specdb::EiMs 775 Specdb::MsMs 94542 Specdb::MsMs 94543 Specdb::MsMs 94544 Specdb::MsMs 158580 Specdb::MsMs 158581 Specdb::MsMs 158582 Specdb::MsMs 440154 Specdb::MsMs 445681 Specdb::MsMs 445682 Specdb::MsMs 445683 Specdb::MsMs 445684 Specdb::MsMs 445685 Specdb::MsMs 451983 Specdb::MsMs 452274 Specdb::NmrOneD 2721 Specdb::NmrOneD 3414 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 DB01726 5801 FDB093591 C01987 18112 C00007533 2-Aminophenol