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Details

Stereochemistry ACHIRAL
Molecular Formula 2C21H24ClN6O2.4Cl.Zn
Molecular Weight 1063.036
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Bis[1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-2,3-dimethyl-1H-imidazolium] (T-4)-tetrachlorozincate(2-)

SMILES

[Cl-].[Cl-].[Cl-].[Cl-].[Zn++].CCN(CC[N+]1=C(C)N(C)C=C1)C2=CC=C(C=C2)\N=N\C3=C(Cl)C=C(C=C3)[N+]([O-])=O.CCN(CC[N+]4=C(C)N(C)C=C4)C5=CC=C(C=C5)\N=N\C6=C(Cl)C=C(C=C6)[N+]([O-])=O

InChI

InChIKey=WENUXPIVXBPQCX-BNSYKITGSA-J
InChI=1S/2C21H24ClN6O2.4ClH.Zn/c2*1-4-26(13-14-27-12-11-25(3)16(27)2)18-7-5-17(6-8-18)23-24-21-10-9-19(28(29)30)15-20(21)22;;;;;/h2*5-12,15H,4,13-14H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/b2*24-23+;;;;;

HIDE SMILES / InChI

Molecular Formula Zn
Molecular Weight 65.409
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H24ClN6O2
Molecular Weight 427.907
Charge 1
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 Tue Apr 01 18:21:06 GMT 2025
Edited
by admin
on Tue Apr 01 18:21:06 GMT 2025
Record UNII
NJA366TJ8F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)-2,3-dimethyl-1H-imidazolium tetrachlorozincate(2-)
Preferred Name English
Bis[1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-2,3-dimethyl-1H-imidazolium] (T-4)-tetrachlorozincate(2-)
Systematic Name English
1H-Imidazolium, 1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-2,3-dimethyl-, (T-4)-tetrachlorozincate(2-) (2:1)
Systematic Name English
Zincate(2-), tetrachloro-, (T-4)-, bis[1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-2,3-dimethyl-1H-imidazolium]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
288-584-5
Created by admin on Tue Apr 01 18:21:06 GMT 2025 , Edited by admin on Tue Apr 01 18:21:06 GMT 2025
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EPA CompTox
DTXSID90235061
Created by admin on Tue Apr 01 18:21:06 GMT 2025 , Edited by admin on Tue Apr 01 18:21:06 GMT 2025
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FDA UNII
NJA366TJ8F
Created by admin on Tue Apr 01 18:21:06 GMT 2025 , Edited by admin on Tue Apr 01 18:21:06 GMT 2025
PRIMARY
PUBCHEM
56842289
Created by admin on Tue Apr 01 18:21:06 GMT 2025 , Edited by admin on Tue Apr 01 18:21:06 GMT 2025
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CAS
85763-59-3
Created by admin on Tue Apr 01 18:21:06 GMT 2025 , Edited by admin on Tue Apr 01 18:21:06 GMT 2025
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