Compound: PENDIMETHALIN
SMILES: O=[N+]([O-])c1c(NC(CC)CC)c([N+](=O)[O-])cc(c1C)C
InChIKey: CHIFOSRWCNZCFN-UHFFFAOYSA-N
Synonyms: PENDIMETHALIN, 40487-42-1, Pendimethaline, Penoxaline, Prowl, Phenoxalin, Herbadox, Accotab, Stomp, Penoxyn, Sipaxol, 3,4-Dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline, Way Up, Tendimethalin, Go-Go-San, Wayup, SWGC, N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidine, Stomp 330D, Stomp 330E, N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine, Southern Weed Grass Control, Caswell No. 454BB, 3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline, AC 92553, N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline, N-(3-Pentyl)-3,4-dimethyl-2,6-dinitroaniline, VL6L14C06U, DTXSID7024245, Aniline, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-, 3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-aniline, DTXCID004245, Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-, CHEBI:83569, N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin, N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin, RefChem:170769, Pay-Off, Penoxalin, Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-, 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline, MFCD00055332, Pendimethaline [ISO-French], CAS-40487-42-1, Pendimethalin [ISO], Pendimethalin [ANSI:BSI:ISO], HSDB 6721, EINECS 254-938-2, EPA Pesticide Chemical Code 108501, BRN 2157711, UNII-VL6L14C06U, Herbodox, Prowl 4E, Prowl(TM), N-(1-Aethylpropyl)-2,6-dinitro-3,4-xylidin [German], Prowl 3.3, N-(1-Aethylpropyl)-3,4-dimethyl-2,6-dinitroanilin [German], Pendimethalin (Standard), Pre-M 60DG, PENDIMETHALIN [MI], PENDIMETHALIN [HSDB], Oprea1_039175, SCHEMBL21821, BIDD:ER0107, orb1303235, orb3025216, CHEMBL1256630, SCHEMBL11073392, SCHEMBL29392877, HY-B0862R, N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitro-benzenamine, HY-B0862, MSK22249, Tox21_201896, Tox21_300867, AKOS001705353, AKOS040758114, EBC-258041, NCGC00163941-01, NCGC00163941-02, NCGC00163941-03, NCGC00163941-04, NCGC00254771-01, NCGC00259445-01, LS-14236, Pendimethalin 1000 microg/mL in Acetone, Pendimethalin 1000 microg/mL in Toluene, SY107363, DB-049600, Pendimethalin 10 microg/mL in Acetonitrile, Pendimethalin 100 microg/mL in Cyclohexane, CS-0012876, NS00000529, P1964, 3,4-dimethyl-2,6 -dinitro-N-3-pentylaniline, D92175, Prowl(R) (Pendimethaline), analytical standard, 3,4-Dimethyl-2,6-dinitro-N-(3-pentyl)aniline, EN300-7409229, Pendimethalin, PESTANAL(R), analytical standard, 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline, Q423895, 2,6-dinitro-N-(1-ethylpropyl)-3,4-dimethylaniline, N-(1-ethylpropyl)-2,6-dinitro-3,4-dimethyl-benzenamine, N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline #, Z3221533686
Theoretical properties:
molecular_formula: C13H19N3O4
molecular_weight: 281.31 g/mol
exact_mass: 281.13755610 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 4
heavy_atom_count: 20
topological_polar_surface_area: 104 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Orange-yellow crystal solid
color: Orange-yellow crystal solid
odor: Faint, nutty odor
boiling_point: Decomposes on distillation
melting_point: 56-57 °C
density: 1.19 at 25 °C
solubility: Soluble in most organic solvents
flash_point: Flashpoint of Prowl: 92 °F (closed cup); 124 °F (open cup) /Prowl/
vapor_pressure: 0.00003 [mmHg]
Descriptions:
pubchem: Pendimethalin is a member of the class of substituted anilines that is N-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds. It has a role as a herbicide, an agrochemical and an environmental contaminant. It is a C-nitro compound, a substituted aniline and a secondary amino compound.
chebi: A member of the class of substituted anilines that is <em>N</em>-(pentan-3-yl)aniline bearing two additional nitro substituents at positions 2 and 6 as well as two methyl substituents at positions 3 and 4. A herbicide used to control most annual grasses and many annual broad-leaved weeds.
chembl: PENDIMETHALIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Pendimethalin is a selective herbicide of the dinitroaniline class used preëmergently and postemergently to control annual grasses and certain broadleaf weeds. It inhibits cell division and cell elongation. Pendimethalin is approved in Europe, North America, South America, Africa, Asia and Oceania for different crops including cereals (wheat, barley, rye, triticale), corn, soybeans, rice, potato, legumes, fruits, vegetables, and nuts, plus lawns and ornamental plants.
It is also registered in Australia,
Uganda
and India.