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Details

Stereochemistry ACHIRAL
Molecular Formula C19H25ClN5O2.CH3O4S
Molecular Weight 501.984
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (2-(P-(4-NITRO-2-CHLOROPHENYLAZO)-N-ETHYLANILINO)ETHYL)TRIMETHYLAMMONIUM METHYL SULFATE

SMILES

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

InChI

InChIKey=NUSZYOCSDMLOQE-QUABFQRHSA-M
InChI=1S/C19H25ClN5O2.CH4O4S/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20;1-5-6(2,3)4/h6-11,14H,5,12-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1/b22-21+;

HIDE SMILES / InChI

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H25ClN5O2
Molecular Weight 390.887
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:31:31 GMT 2025
Edited
by admin
on Tue Apr 01 20:31:31 GMT 2025
Record UNII
02Z1SY6547
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMMONIUM, (2-(P-((2-CHLORO-4-NITROPHENYL)AZO)-N-ETHYLANILINO)ETHYL)TRIMETHYL-, METHYL SULFATE
Preferred Name English
(2-(P-(4-NITRO-2-CHLOROPHENYLAZO)-N-ETHYLANILINO)ETHYL)TRIMETHYLAMMONIUM METHYL SULFATE
Common Name English
ETHANAMINIUM, 2-((4-((2-CHLORO-4-NITROPHENYL)AZO)PHENYL)ETHYLAMINO)-N,N,N-TRIMETHYL-, METHYL SULFATE
Systematic Name English
ETHANAMINIUM, 2-((4-(2-(2-CHLORO-4-NITROPHENYL)DIAZENYL)PHENYL)ETHYLAMINO)-N,N,N-TRIMETHYL-, METHYL SULFATE (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
238-129-1
Created by admin on Tue Apr 01 20:31:31 GMT 2025 , Edited by admin on Tue Apr 01 20:31:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID10884737
Created by admin on Tue Apr 01 20:31:31 GMT 2025 , Edited by admin on Tue Apr 01 20:31:31 GMT 2025
PRIMARY
CAS
14254-17-2
Created by admin on Tue Apr 01 20:31:31 GMT 2025 , Edited by admin on Tue Apr 01 20:31:31 GMT 2025
PRIMARY
FDA UNII
02Z1SY6547
Created by admin on Tue Apr 01 20:31:31 GMT 2025 , Edited by admin on Tue Apr 01 20:31:31 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE