1.0 2026-09-21 19:12:27 UTC 2026-09-21 19:12:27 UTC FDB116951 PENDIMETHALIN 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-aniline C13H19N3O4 281.3077 281.137556111 3,4-dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline way up CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3 CHIFOSRWCNZCFN-UHFFFAOYSA-N belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group. Dinitroanilines Organic compounds Benzenoids Benzene and substituted derivatives Aniline and substituted anilines Aromatic homomonocyclic compounds Hydrocarbon derivatives Nitroaromatic compounds Nitrobenzenes Nitrotoluenes Organic oxides Organic oxoazanium compounds Organic zwitterions Organopnictogen compounds Phenylalkylamines Propargyl-type 1,3-dipolar organic compounds Secondary alkylarylamines o-Xylenes Allyl-type 1,3-dipolar organic compound Amine Aromatic homomonocyclic compound C-nitro compound Dinitroaniline Hydrocarbon derivative Nitroaromatic compound Nitrobenzene Nitrotoluene O-xylene Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organic zwitterion Organonitrogen compound Organopnictogen compound Phenylalkylamine Propargyl-type 1,3-dipolar organic compound Secondary aliphatic/aromatic amine Secondary amine Xylene C-nitro compound Dinitroaniline herbicides secondary amino compound substituted aniline logp 4.36 ALOGPS logs -3.94 ALOGPS solubility 3.22e-02 g/l ALOGPS logp 4.82 ChemAxon pka_strongest_acidic 10.94 ChemAxon pka_strongest_basic -1 ChemAxon iupac 3,4-dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline ChemAxon average_mass 281.3077 ChemAxon mono_mass 281.137556111 ChemAxon smiles CCC(CC)NC1=C(C=C(C)C(C)=C1[N+]([O-])=O)[N+]([O-])=O ChemAxon formula C13H19N3O4 ChemAxon inchi InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3 ChemAxon inchikey CHIFOSRWCNZCFN-UHFFFAOYSA-N ChemAxon polar_surface_area 103.67 ChemAxon refractivity 79.2 ChemAxon polarizability 28.32 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 457 Specdb::CMs 109452 Specdb::CMs 122235 Specdb::MsMs 63576 Specdb::MsMs 63577 Specdb::MsMs 63578 Specdb::MsMs 120543 Specdb::MsMs 120544 Specdb::MsMs 120545 Specdb::MsMs 2234481 Specdb::MsMs 2236040 Specdb::MsMs 2237332 Specdb::MsMs 2244449 Specdb::MsMs 2245646 Specdb::MsMs 2247691 Specdb::MsMs 2248581 Specdb::MsMs 2248590 Specdb::MsMs 2249781 Specdb::MsMs 2249812 Specdb::MsMs 2250597 Specdb::MsMs 2251808 Specdb::MsMs 2253192 Specdb::MsMs 2253287 Specdb::MsMs 2257218 Specdb::MsMs 2257377 Specdb::MsMs 2259171 Specdb::MsMs 2259379