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Details

Stereochemistry ACHIRAL
Molecular Formula C7H9N3O2
Molecular Weight 167.1653
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-5-NITRO-1,3-BENZENEDIAMINE

SMILES

CC1=C(C=C(N)C=C1N)[N+]([O-])=O

InChI

InChIKey=DFZSBQYOXAUYCB-UHFFFAOYSA-N
InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3

HIDE SMILES / InChI

Molecular Formula C7H9N3O2
Molecular Weight 167.1653
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 08:37:49 GMT 2023
Edited
by admin
on Sat Dec 16 08:37:49 GMT 2023
Record UNII
DQJ5EX5KMD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYL-5-NITRO-1,3-BENZENEDIAMINE
Systematic Name English
NSC-58082
Code English
2-NITRO-4,6-DIAMINOTOLUENE
Systematic Name English
1,3-BENZENEDIAMINE, 4-METHYL-5-NITRO-
Systematic Name English
2,4-DIAMINO-6-NITROTOLUENE
Systematic Name English
NSC-58161
Code English
Code System Code Type Description
NSC
58161
Created by admin on Sat Dec 16 08:37:49 GMT 2023 , Edited by admin on Sat Dec 16 08:37:49 GMT 2023
PRIMARY
CHEBI
19342
Created by admin on Sat Dec 16 08:37:49 GMT 2023 , Edited by admin on Sat Dec 16 08:37:49 GMT 2023
PRIMARY
CAS
6629-29-4
Created by admin on Sat Dec 16 08:37:49 GMT 2023 , Edited by admin on Sat Dec 16 08:37:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID10216498
Created by admin on Sat Dec 16 08:37:49 GMT 2023 , Edited by admin on Sat Dec 16 08:37:49 GMT 2023
PRIMARY
FDA UNII
DQJ5EX5KMD
Created by admin on Sat Dec 16 08:37:49 GMT 2023 , Edited by admin on Sat Dec 16 08:37:49 GMT 2023
PRIMARY
NSC
58082
Created by admin on Sat Dec 16 08:37:49 GMT 2023 , Edited by admin on Sat Dec 16 08:37:49 GMT 2023
PRIMARY
PUBCHEM
96177
Created by admin on Sat Dec 16 08:37:49 GMT 2023 , Edited by admin on Sat Dec 16 08:37:49 GMT 2023
PRIMARY
Related Record Type Details
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