1.0 2010-04-08 22:09:11 UTC 2020-02-24 19:11:00 UTC FDB010572 2-Aminoacetophenone Component of tortilla aroma and of other corn flour products. 2-Aminoacetophenone is found in cereals and cereal products. 2-amino-1-Phenyl-ethanone 2-Amino-1-phenylethan-1-one 2-amino-1-phenylethanone 2-Amino-1-phenylethanone, 9CI Alpha-aminoacetophenone Alpha-aminoactophenone Alpha-demethylcathinone Benzoylmethylamine Ethanone, 2-amino-1-phenyl- Omega-aminoacetophenone Phenacylamine Phenomydrol C8H9NO 135.1632 135.068413915 2-amino-1-phenylethan-1-one phenacylamine 613-89-8 NCC(=O)C1=CC=CC=C1 InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2 HEQOJEGTZCTHCF-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds Alpha-amino ketones Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Alkyl-phenylketone Alpha-aminoketone Amine Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organonitrogen compound Organopnictogen compound Primary aliphatic amine Primary amine Liquid logp 0.30 ALOGPS logs -1.38 ALOGPS solubility 5.68e+00 g/l ALOGPS melting_point 20 oC logp 0.61 ChemAxon pka_strongest_acidic 18.27 ChemAxon pka_strongest_basic 7.3 ChemAxon iupac 2-amino-1-phenylethan-1-one ChemAxon average_mass 135.1632 ChemAxon mono_mass 135.068413915 ChemAxon smiles NCC(=O)C1=CC=CC=C1 ChemAxon formula C8H9NO ChemAxon inchi InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2 ChemAxon inchikey HEQOJEGTZCTHCF-UHFFFAOYSA-N ChemAxon polar_surface_area 43.09 ChemAxon refractivity 39.82 ChemAxon polarizability 14.37 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13119 Specdb::CMs 132118 Specdb::CMs 139852 Specdb::MsIr 5655 Specdb::MsIr 5656 Specdb::MsIr 5657 Specdb::MsMs 94140 Specdb::MsMs 94141 Specdb::MsMs 94142 Specdb::MsMs 158112 Specdb::MsMs 158113 Specdb::MsMs 158114 Specdb::MsMs 2229126 Specdb::MsMs 2725754 Specdb::MsMs 2725755 Specdb::MsMs 2725756 Specdb::MsMs 2956467 Specdb::MsMs 2956468 Specdb::MsMs 2956469 Specdb::NmrOneD 114378 Specdb::NmrOneD 114379 Specdb::NmrOneD 114380 Specdb::NmrOneD 114381 Specdb::NmrOneD 114382 Specdb::NmrOneD 114383 Specdb::NmrOneD 114384 Specdb::NmrOneD 114385 Specdb::NmrOneD 114386 Specdb::NmrOneD 114387 Specdb::NmrOneD 114388 Specdb::NmrOneD 114389 Specdb::NmrOneD 114390 Specdb::NmrOneD 114391 Specdb::NmrOneD 114392 Specdb::NmrOneD 114393 Specdb::NmrOneD 114394 Specdb::NmrOneD 114395 Specdb::NmrOneD 114396 Specdb::NmrOneD 114397 HMDB32628 #<Reference:0x000055ce32caaf48> Beer Type 2 specific 0.01 0.01 0.01 mg/100 g Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Corn Type 1 specific Zea mays 4577 0.0 0.0 0.0 mg/100 g Taco Type 2 specific 0.0 0.0 0.0 mg/100 g Tortilla Type 2 specific 0.0 0.0 0.0 mg/100 g Tortilla chip Type 2 specific