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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H21N5O6
Molecular Weight 439.4213
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DISPERSE RED 82

SMILES

CC(=O)OCCN(CCOC(C)=O)C1=CC=C(C=C1)\N=N\C2=C(C=C(C=C2)[N+]([O-])=O)C#N

InChI

InChIKey=GRMDKKJYMUDEJO-WCWDXBQESA-N
InChI=1S/C21H21N5O6/c1-15(27)31-11-9-25(10-12-32-16(2)28)19-5-3-18(4-6-19)23-24-21-8-7-20(26(29)30)13-17(21)14-22/h3-8,13H,9-12H2,1-2H3/b24-23+

HIDE SMILES / InChI

Molecular Formula C21H21N5O6
Molecular Weight 439.4213
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:29:40 GMT 2023
Edited
by admin
on Sat Dec 16 08:29:40 GMT 2023
Record UNII
043XMP654U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISPERSE RED 82
Common Name English
N,N-BIS(2-(ACETYLOXY)ETHYL)-4-((2-CYANO-4-NITROPHENYL)AZO)BENZENEAMINE
Systematic Name English
BENZONITRILE, 2-(2-(4-(BIS(2-(ACETYLOXY)ETHYL)AMINO)PHENYL)DIAZENYL)-5-NITRO-
Systematic Name English
2-((4-((BIS(2-HYDROXYETHYL))AMINO)PHENYL)AZO)-5-NITROBENZONITRILE DIACETATE (ESTER)
Systematic Name English
CI 11140
Common Name English
DISPERSOL RED C 3B
Common Name English
2-((4-(BIS(2-(ACETYLOXY)ETHYL)AMINO)PHENYL)AZO)-5-NITROBENZONITRILE
Systematic Name English
3-NITRO-6-((4-(N,N-DIACETOXYETHYLAMINO)PHENYL)AZO)BENZONITRILE)
Systematic Name English
BENZONITRILE, 2-((4-(BIS(2-(ACETYLOXY)ETHYL)AMINO)PHENYL)AZO)-5-NITRO-
Systematic Name English
C.I. 11140
Common Name English
C.I. DISPERSE RED 82
Common Name English
CI DISPERSE RED 82
Common Name English
CIBACET RED 3BL
Common Name English
Code System Code Type Description
CAS
30124-94-8
Created by admin on Sat Dec 16 08:29:40 GMT 2023 , Edited by admin on Sat Dec 16 08:29:40 GMT 2023
PRIMARY
ECHA (EC/EINECS)
250-061-4
Created by admin on Sat Dec 16 08:29:40 GMT 2023 , Edited by admin on Sat Dec 16 08:29:40 GMT 2023
PRIMARY
PUBCHEM
121639
Created by admin on Sat Dec 16 08:29:41 GMT 2023 , Edited by admin on Sat Dec 16 08:29:41 GMT 2023
PRIMARY
FDA UNII
043XMP654U
Created by admin on Sat Dec 16 08:29:41 GMT 2023 , Edited by admin on Sat Dec 16 08:29:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID6044642
Created by admin on Sat Dec 16 08:29:40 GMT 2023 , Edited by admin on Sat Dec 16 08:29:40 GMT 2023
PRIMARY