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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H28N4O4
Molecular Weight 400.4714
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4?-Methylenebis[N-(2-methyl-2-nitropropyl)benzenamine]

SMILES

CC(C)(CNC1=CC=C(CC2=CC=C(NCC(C)(C)[N+]([O-])=O)C=C2)C=C1)[N+]([O-])=O

InChI

InChIKey=QGHWSLRIZWVDEJ-UHFFFAOYSA-N
InChI=1S/C21H28N4O4/c1-20(2,24(26)27)14-22-18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)23-15-21(3,4)25(28)29/h5-12,22-23H,13-15H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C21H28N4O4
Molecular Weight 400.4714
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 19:00:32 GMT 2025
Edited
by admin
on Mon Mar 31 19:00:32 GMT 2025
Record UNII
QKJ7MMX7MY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methylene bis(2-methyl-nitrophenyl)aniline), 4,4-
Preferred Name English
4,4?-Methylenebis[N-(2-methyl-2-nitropropyl)benzenamine]
Systematic Name English
Benzenamine, 4,4?-methylenebis[N-(2-methyl-2-nitropropyl)-
Systematic Name English
Code System Code Type Description
CAS
114136-93-5
Created by admin on Mon Mar 31 19:00:32 GMT 2025 , Edited by admin on Mon Mar 31 19:00:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID2073805
Created by admin on Mon Mar 31 19:00:32 GMT 2025 , Edited by admin on Mon Mar 31 19:00:32 GMT 2025
PRIMARY
FDA UNII
QKJ7MMX7MY
Created by admin on Mon Mar 31 19:00:32 GMT 2025 , Edited by admin on Mon Mar 31 19:00:32 GMT 2025
PRIMARY
PUBCHEM
188849
Created by admin on Mon Mar 31 19:00:32 GMT 2025 , Edited by admin on Mon Mar 31 19:00:32 GMT 2025
PRIMARY