1.0 2010-04-08 22:09:33 UTC 2018-05-28 22:27:00 UTC FDB011269 6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine Major soil metabolite of Atrazine <ht>DKW85-F</ht>. Environmental pollutant of soil and water. 1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-methylethyl)- 2-Amino-4-chloro-6-(isopropylamino)-1,3,5-triazine 2-amino-4-chloro-6-(isopropylamino)-s-triazine 2-Amino-4-chloro-6-isopropylamino-1,3,5-triazine 2-Amino-4-isopropylamino-6-chloro-S-triazine 2-chloro-4-amino-6-(isopropylamino)-s-triazine 2-chloro-4-amino-6-isopropylamino-s-triazine 2-Chloro-4-isopropylamino-6-amino-s-triazine 4-deethylatrazine 6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine, 9CI 6-chloro-N-(propan-2-yl)-1,3,5-triazine-2,4-diamine 6-chloro-N-isopropyl-1,3,5-triazine-2,4-diamine Atrazine desethyl Atrazine m (des-ethyl) Atrazine-desethyl CIAT Deethyatrazine Deethylatrazin Deethylatrazine Des-ethyl atrazine Desethyl atrazine Desethyl-atrazine Desethylatrazine Desisopropyl propazine s-Triazine, 2-amino-4-chloro-6-(isopropylamino)- C6H10ClN5 187.63 187.062473052 6-chloro-N2-(propan-2-yl)-1,3,5-triazine-2,4-diamine desethylatrazine 6190-65-4 CC(C)NC1=NC(N)=NC(Cl)=N1 InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12) DFWFIQKMSFGDCQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups. 1,3,5-triazine-2,4-diamines Organic compounds Organoheterocyclic compounds Triazines Aminotriazines Aromatic heteromonocyclic compounds Aryl chlorides Azacyclic compounds Chloro-s-triazines Heteroaromatic compounds Hydrocarbon derivatives N-aliphatic s-triazines Organochlorides Organopnictogen compounds Primary amines Secondary alkylarylamines 1,3,5-triazine 2,4-diamine-s-triazine Amine Aromatic heteromonocyclic compound Aryl chloride Aryl halide Azacycle Chloro-s-triazine Halo-s-triazine Heteroaromatic compound Hydrocarbon derivative N-aliphatic s-triazine Organic nitrogen compound Organochloride Organohalogen compound Organonitrogen compound Organopnictogen compound Primary amine Secondary aliphatic/aromatic amine Secondary amine a small molecule chloro-1,3,5-triazine diamino-1,3,5-triazine logp 1.50 ALOGPS logs -2.76 ALOGPS solubility 3.25e-01 g/l ALOGPS melting_point Mp 135-137° logp 1.54 ChemAxon pka_strongest_acidic 14.58 ChemAxon pka_strongest_basic 3.38 ChemAxon iupac 6-chloro-N2-(propan-2-yl)-1,3,5-triazine-2,4-diamine ChemAxon average_mass 187.63 ChemAxon mono_mass 187.062473052 ChemAxon smiles CC(C)NC1=NC(N)=NC(Cl)=N1 ChemAxon formula C6H10ClN5 ChemAxon inchi InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12) ChemAxon inchikey DFWFIQKMSFGDCQ-UHFFFAOYSA-N ChemAxon polar_surface_area 76.72 ChemAxon refractivity 51.97 ChemAxon polarizability 18.29 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22368 Specdb::CMs 159220 Specdb::MsIr 6053 Specdb::MsIr 6054 Specdb::MsIr 6055 Specdb::MsMs 43158 Specdb::MsMs 43159 Specdb::MsMs 43160 Specdb::MsMs 131184 Specdb::MsMs 131185 Specdb::MsMs 131186 Specdb::MsMs 441387 Specdb::MsMs 441388 Specdb::MsMs 441389 Specdb::MsMs 441390 Specdb::MsMs 442101 Specdb::MsMs 442102 Specdb::MsMs 442103 Specdb::MsMs 442104 Specdb::MsMs 442105 Specdb::MsMs 442106 Specdb::MsMs 442107 Specdb::MsMs 442108 Specdb::MsMs 442109 Specdb::MsMs 442110 Specdb::MsMs 442111 Specdb::MsMs 442112 Specdb::MsMs 442113 Specdb::MsMs 442114 Specdb::MsMs 448862 HMDB33249 28212 #<Reference:0x000055ce31f83680> #<Reference:0x000055ce31f834c8> #<Reference:0x000055ce31f83310> #<Reference:0x000055ce31f83158> #<Reference:0x000055ce31f82fa0> #<Reference:0x000055ce31f82dc0> #<Reference:0x000055ce31f82c08> #<Reference:0x000055ce31f82a50> #<Reference:0x000055ce31f82898> #<Reference:0x000055ce31f826e0> #<Reference:0x000055ce31f82500> #<Reference:0x000055ce31f82348> #<Reference:0x000055ce31f82190> #<Reference:0x000055ce31f81fd8> #<Reference:0x000055ce31f81e20> #<Reference:0x000055ce31f81c68> #<Reference:0x000055ce31f81ab0> #<Reference:0x000055ce31f818d0> #<Reference:0x000055ce31f81718> #<Reference:0x000055ce31f81560>