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Details

Stereochemistry ACHIRAL
Molecular Formula C16H17ClN4O3
Molecular Weight 348.784
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DISPERSE RED 13

SMILES

CCN(CCO)C1=CC=C(C=C1)\N=N\C2=CC=C(C=C2Cl)[N+]([O-])=O

InChI

InChIKey=FEJPWLNPOFOBSP-VHEBQXMUSA-N
InChI=1S/C16H17ClN4O3/c1-2-20(9-10-22)13-5-3-12(4-6-13)18-19-16-8-7-14(21(23)24)11-15(16)17/h3-8,11,22H,2,9-10H2,1H3/b19-18+

HIDE SMILES / InChI

Molecular Formula C16H17ClN4O3
Molecular Weight 348.784
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Differential toxicity of Disperse Red 1 and Disperse Red 13 in the Ames test, HepG2 cytotoxicity assay, and Daphnia acute toxicity test.
2011 Oct
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:54:12 GMT 2023
Edited
by admin
on Sat Dec 16 07:54:12 GMT 2023
Record UNII
8GO3E3725A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISPERSE RED 13
Common Name English
J33.606H
Code English
C.I. DISPERSE RED 13
Common Name English
2-((4-((2-CHLORO-4-NITROPHENYL)AZO)PHENYL)ETHYLAMINO)ETHANOL
Systematic Name English
ETHANOL, 2-((4-(2-(2-CHLORO-4-NITROPHENYL)DIAZENYL)PHENYL)ETHYLAMINO)-
Systematic Name English
C.I. 11115
Code English
ETHANOL, 2-((4-((2-CHLORO-4-NITROPHENYL)AZO)PHENYL)ETHYLAMINO)-
Systematic Name English
CIBACET RUBINE BS
Brand Name English
Code System Code Type Description
ECHA (EC/EINECS)
221-668-1
Created by admin on Sat Dec 16 07:54:12 GMT 2023 , Edited by admin on Sat Dec 16 07:54:12 GMT 2023
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FDA UNII
8GO3E3725A
Created by admin on Sat Dec 16 07:54:12 GMT 2023 , Edited by admin on Sat Dec 16 07:54:12 GMT 2023
PRIMARY
CAS
3180-81-2
Created by admin on Sat Dec 16 07:54:12 GMT 2023 , Edited by admin on Sat Dec 16 07:54:12 GMT 2023
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EPA CompTox
DTXSID5038915
Created by admin on Sat Dec 16 07:54:12 GMT 2023 , Edited by admin on Sat Dec 16 07:54:12 GMT 2023
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PUBCHEM
18516
Created by admin on Sat Dec 16 07:54:12 GMT 2023 , Edited by admin on Sat Dec 16 07:54:12 GMT 2023
PRIMARY