4-(Hydroxymethyl)pendimethalin

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H19N3O5
Molecular Weight	297.3071
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(Hydroxymethyl)pendimethalin

Structure Search

SMILES

CCC(CC)NC1=C(C=C(CO)C(C)=C1[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=JXPNNQHCFMKVHK-UHFFFAOYSA-N

InChI=1S/C13H19N3O5/c1-4-10(5-2)14-12-11(15(18)19)6-9(7-17)8(3)13(12)16(20)21/h6,10,14,17H,4-5,7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H19N3O5
Molecular Weight	297.3071
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:29:47 GMT 2025` Edited by `admin` on `Mon Mar 31 19:29:47 GMT 2025`
Record UNII	B5732HV5JS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(Hydroxymethyl)pendimethalin

Common Name

English

Hydroxymethyl pendimethalin, 4-

Preferred Name

English

4-[(1-Ethylpropyl)amino]-2-methyl-3,5-dinitrobenzenemethanol

Systematic Name

English

Benzenemethanol, 4-[(1-ethylpropyl)amino]-2-methyl-3,5-dinitro-

Systematic Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

608502

Created by admin on Mon Mar 31 19:29:47 GMT 2025 , Edited by admin on Mon Mar 31 19:29:47 GMT 2025

Code System Code Type Description

PUBCHEM

533681

Created by admin on Mon Mar 31 19:29:47 GMT 2025 , Edited by admin on Mon Mar 31 19:29:47 GMT 2025

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FDA UNII

B5732HV5JS

Created by admin on Mon Mar 31 19:29:47 GMT 2025 , Edited by admin on Mon Mar 31 19:29:47 GMT 2025

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CAS

56750-76-6

Created by admin on Mon Mar 31 19:29:47 GMT 2025 , Edited by admin on Mon Mar 31 19:29:47 GMT 2025

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EPA CompTox

DTXSID7074741

Created by admin on Mon Mar 31 19:29:47 GMT 2025 , Edited by admin on Mon Mar 31 19:29:47 GMT 2025

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