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Substance Name: 1-Propanaminium, N-(2-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)ethylamino)ethyl)-2-hydroxy-N,N-dimethyl-, sulfate (1:1)
RN: 72894-28-1
InChIKey: ZSTRVSJNWUAODT-XMXXDQCKSA-L

Molecular Formula

  • C21-H29-Cl-N5-O3.H-O4-S

Molecular Weight

  • 531.007
 
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Names and Synonyms

Synonyms

  • 2-(Ethyl(4-((2-chloro-4-nitrophenyl)azo)phenyl)amino)-N,N-dimethyl-N-(2-hydroxypropyl)ethanaminium hydrogen sulfate
  • EINECS 276-973-2

Systematic Names

  • (2-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)(2-hydroxypropyl)dimethylammonium hydrogen sulphate
  • 1-Propanaminium, N-(2-((4-((2-chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)-2-hydroxy-N,N-dimethyl-, sulfate (1:1) (salt)
  • 1-Propanaminium, N-(2-((4-(2-(2-chloro-4-nitrophenyl)diazenyl)phenyl)ethylamino)ethyl)-2-hydroxy-N,N-dimethyl-, sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 72894-28-1

System Generated Number

  • 0072894281

Molecular Formulas

Molecular Formula

  • C21-H29-Cl-N5-O3.H-O4-S

Molecular Formula Fragments

  • C21-H29-Cl-N5-O3
  • COMPONENT
  • H-O4-S

Structure Descriptors

InChI

1S/C21H29ClN5O3.H2O4S/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;1-5(2,3)4/h6-11,14,16,28H,5,12-13,15H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2/b24-23+;

InChIKey

ZSTRVSJNWUAODT-XMXXDQCKSA-L

Smiles

C([C@@H](C)O)[N+](CCN(CC)c1ccc(cc1)\N=N\c1c(cc(cc1)[N+](=O)[O-])Cl)(C)C.S(=O)(=O)([O-])[O-]