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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19N3O6S
Molecular Weight 345.371
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NITRALIN

SMILES

CCCN(CCC)C1=C(C=C(C=C1[N+]([O-])=O)S(C)(=O)=O)[N+]([O-])=O

InChI

InChIKey=UMKANAFDOQQUKE-UHFFFAOYSA-N
InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3

HIDE SMILES / InChI
Molecular Formula C13H19N3O6S
Molecular Weight 345.371
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Abiotic reduction of dinitroaniline herbicides.
2003 Oct
Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin.
2010 Apr
Patents

Patents

05258361
9
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:04:22 GMT 2023
Edited
by admin
on Fri Dec 15 15:04:22 GMT 2023
Record UNII
697W0VS4HQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NITRALIN
HSDB   ISO   MI  
Common Name English
PLANAVIN
Brand Name English
2,6-DINITRO-4-METHYLSULFONYL-N-N-DI-N-PROPYLANILINE
Brand Name English
NITRALIN [ISO]
Common Name English
N,N-DIPROPYL-2,6-DINITRO-4-METHYLSULFONYLANILINE
Systematic Name English
2,6-DINITRO-4-METHYLSULFONYL-N,N-DIPROPYLANILINE
Systematic Name English
BENZENAMINE, 4-(METHYLSULFONYL)-2,6-DINITRO-N,N-DIPROPYL-
Systematic Name English
N,N-DIPROPYL-4-METHYLSULFONYL-2,6-DINITROANILINE
Systematic Name English
NITRALIN [MI]
Common Name English
NITRALIN [HSDB]
Common Name English
4-(METHYLSULFONYL)-2,6-DINITRO-N,N-DIPROPYLBENZENAMINE
Systematic Name English
4-(METHYLSULFONYL)-2,6-DINITRO-N,N-DIPROPYLANILINE
Systematic Name English
4-MESYL-2,6-DINITRO-N,N-DIPROPYLANILINE
Systematic Name English
SD-11831
Code English
NITRALINE
Common Name English
ANILINE, 4-(METHYLSULFONYL)-2,6-DINITRO-N,N-DIPROPYL-
Systematic Name English
PLANUIN
Brand Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 37601
Created by admin on Fri Dec 15 15:04:22 GMT 2023 , Edited by admin on Fri Dec 15 15:04:22 GMT 2023
Code System Code Type Description
MESH
C003499
Created by admin on Fri Dec 15 15:04:22 GMT 2023 , Edited by admin on Fri Dec 15 15:04:22 GMT 2023
PRIMARY
CAS
4726-14-1
Created by admin on Fri Dec 15 15:04:22 GMT 2023 , Edited by admin on Fri Dec 15 15:04:22 GMT 2023
PRIMARY
HSDB
789
Created by admin on Fri Dec 15 15:04:22 GMT 2023 , Edited by admin on Fri Dec 15 15:04:22 GMT 2023
PRIMARY
ECHA (EC/EINECS)
225-219-0
Created by admin on Fri Dec 15 15:04:22 GMT 2023 , Edited by admin on Fri Dec 15 15:04:22 GMT 2023
PRIMARY
PUBCHEM
20848
Created by admin on Fri Dec 15 15:04:22 GMT 2023 , Edited by admin on Fri Dec 15 15:04:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID9042203
Created by admin on Fri Dec 15 15:04:22 GMT 2023 , Edited by admin on Fri Dec 15 15:04:22 GMT 2023
PRIMARY
MERCK INDEX
m847
Created by admin on Fri Dec 15 15:04:22 GMT 2023 , Edited by admin on Fri Dec 15 15:04:22 GMT 2023
PRIMARY Merck Index
ALANWOOD
nitralin
Created by admin on Fri Dec 15 15:04:22 GMT 2023 , Edited by admin on Fri Dec 15 15:04:22 GMT 2023
PRIMARY
FDA UNII
697W0VS4HQ
Created by admin on Fri Dec 15 15:04:22 GMT 2023 , Edited by admin on Fri Dec 15 15:04:22 GMT 2023
PRIMARY
NIH
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