Pendimethalin

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Systematic / IUPAC Name: 3,4-Dimethyl-2,6-dinitro-N-(3-pentanyl)aniline

ID: Reference2433

Other Names: Penoxaline;
Pendimethaline;
Prowl;
Accotab;
Herbadox ; more

Formula: C13H19N3O4

Class: Pesticides/Herbicides

Spectral Data

Pendimethalin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead ; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 6
No. of Spectra 3285
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; APCI; NSI
Analyzers FT
Last Modification 3/12/2015 10:39:20 AM
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Identificators

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
InChI Key CHIFOSRWCNZCFN-UHFFFAOYSA-N
Canonical SMILES CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]
CAS 40487421
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Other Names Penoxaline;
Pendimethaline;
Prowl;
Accotab;
Herbadox;
Phenoxalin;
Stomp;
Tendimethalin;
Penoxalin;
Penoxyn;
Sipaxol;
Wayup;
Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-;
Wax Up;
N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidine;
N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitroaniline;
3,4-Dimethyl-2,6-dinitro-N-(pentan-3-yl)aniline;
3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline;
Aniline, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-;
N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine;
3,4-Xylidine, 2,6-dinitro-N-(1-ethylpropyl)-;
Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-

In Other Databases

Wikipedia Pendimethalin
ChEBI CHEBI:83569
ChemIDPlus 040487421; 089421534; 094810567; 114655673
ChemSpider 35265
KEGG C11019
PubChem 38479
ChEMBL CHEMBL1256630