U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H13N3O4
Molecular Weight 239.2279
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-dinitro-N-propyl-4-toluidine

SMILES

CCCNC1=C(C=C(C)C=C1[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=DMCHGVMAFFOMQV-UHFFFAOYSA-N
InChI=1S/C10H13N3O4/c1-3-4-11-10-8(12(14)15)5-7(2)6-9(10)13(16)17/h5-6,11H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H13N3O4
Molecular Weight 239.2279
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 Sat Dec 16 12:37:41 GMT 2023
Edited
by admin
on Sat Dec 16 12:37:41 GMT 2023
Record UNII
88U5KX5KL6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-dinitro-N-propyl-4-toluidine
Systematic Name English
Benzenamine, 4-methyl-2,6-dinitro-N-propyl-
Systematic Name English
p-Toluidine, 2,6-dinitro-N-propyl-
Systematic Name English
4-Methyl-2,6-dinitro-N-propylbenzenamine
Systematic Name English
Code System Code Type Description
PUBCHEM
12199419
Created by admin on Sat Dec 16 12:37:41 GMT 2023 , Edited by admin on Sat Dec 16 12:37:41 GMT 2023
PRIMARY
FDA UNII
88U5KX5KL6
Created by admin on Sat Dec 16 12:37:41 GMT 2023 , Edited by admin on Sat Dec 16 12:37:41 GMT 2023
PRIMARY
CAS
2078-03-7
Created by admin on Sat Dec 16 12:37:41 GMT 2023 , Edited by admin on Sat Dec 16 12:37:41 GMT 2023
PRIMARY