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Details

Stereochemistry RACEMIC
Molecular Formula C12H17N3O4
Molecular Weight 267.2811
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-SEC-BUTYL-3,4-DIMETHYL-2,6-DINITROANILINE

SMILES

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

InChI

InChIKey=NKPDMJBXCFNGSC-UHFFFAOYSA-N
InChI=1S/C12H17N3O4/c1-5-8(3)13-11-10(14(16)17)6-7(2)9(4)12(11)15(18)19/h6,8,13H,5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C12H17N3O4
Molecular Weight 267.2811
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:32:39 GMT 2023
Edited
by admin
on Sat Dec 16 08:32:39 GMT 2023
Record UNII
9OOO16J234
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-SEC-BUTYL-3,4-DIMETHYL-2,6-DINITROANILINE
Systematic Name English
BENZENAMINE, 3,4-DIMETHYL-N-(1-METHYLPROPYL)-2,6-DINITRO-
Systematic Name English
AC-92390
Code English
Code System Code Type Description
CAS
40318-45-4
Created by admin on Sat Dec 16 08:32:39 GMT 2023 , Edited by admin on Sat Dec 16 08:32:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID40865993
Created by admin on Sat Dec 16 08:32:39 GMT 2023 , Edited by admin on Sat Dec 16 08:32:39 GMT 2023
PRIMARY
PUBCHEM
12767672
Created by admin on Sat Dec 16 08:32:39 GMT 2023 , Edited by admin on Sat Dec 16 08:32:39 GMT 2023
PRIMARY
FDA UNII
9OOO16J234
Created by admin on Sat Dec 16 08:32:39 GMT 2023 , Edited by admin on Sat Dec 16 08:32:39 GMT 2023
PRIMARY