1.0 2016-06-03 12:45:07 UTC 2026-08-21 21:22:24 UTC Propanenitrile, 3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]- SmallMolecule Propanenitrile, 3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]- belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C22H19N5O2 and an average molecular weight of 385.43 g/mol. C22H19N5O2 385.427 385.153874872 3-[benzyl({4-[2-(4-nitrophenyl)diazen-1-yl]phenyl})amino]propanenitrile 3-[benzyl({4-[2-(4-nitrophenyl)diazen-1-yl]phenyl})amino]propanenitrile 96662-24-7 O=N(=O)C1=CC=C(C=C1)N=NC1=CC=C(C=C1)N(CCC#N)CC1=CC=CC=C1 InChI=1S/C22H19N5O2/c23-15-4-16-26(17-18-5-2-1-3-6-18)21-11-7-19(8-12-21)24-25-20-9-13-22(14-10-20)27(28)29/h1-3,5-14H,4,16-17H2 AJKOAOUQPNLZTF-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Phenylmethylamines Phenylbenzamines Aniline and substituted anilines Aralkylamines Azo compounds Azobenzenes Benzylamines Dialkylarylamines Hydrocarbon derivatives Nitriles Nitroaromatic compounds Nitrobenzenes Organic oxides Organic oxoazanium compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Allyl-type 1,3-dipolar organic compound Amine Aniline or substituted anilines Aralkylamine Aromatic homomonocyclic compound Azo compound Azobenzene Benzylamine C-nitro compound Carbonitrile Dialkylarylamine Hydrocarbon derivative Nitrile Nitroaromatic compound Nitrobenzene Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organonitrogen compound Organopnictogen compound Phenylbenzamine Propargyl-type 1,3-dipolar organic compound Tertiary aliphatic/aromatic amine Tertiary amine Aromatic homomonocyclic compounds Detected and Not Quantified logp 4.8 logp 5.76 ALOGPS logs -4.84 ALOGPS solubility 5.61e-03 g/l ALOGPS logp 5.92 ChemAxon pka_strongest_basic 1.67 ChemAxon iupac 3-[benzyl({4-[2-(4-nitrophenyl)diazen-1-yl]phenyl})amino]propanenitrile ChemAxon average_mass 385.427 ChemAxon mono_mass 385.153874872 ChemAxon smiles O=N(=O)C1=CC=C(C=C1)N=NC1=CC=C(C=C1)N(CCC#N)CC1=CC=CC=C1 ChemAxon formula C22H19N5O2 ChemAxon inchi InChI=1S/C22H19N5O2/c23-15-4-16-26(17-18-5-2-1-3-6-18)21-11-7-19(8-12-21)24-25-20-9-13-22(14-10-20)27(28)29/h1-3,5-14H,4,16-17H2 ChemAxon inchikey AJKOAOUQPNLZTF-UHFFFAOYSA-N ChemAxon polar_surface_area 97.57 ChemAxon refractivity 116.51 ChemAxon polarizability 41.8 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722634dfd8> 15869329 35797976