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Substance Name: (2-((4-((2-Chloro-4-nitrophenyl)azo)phenyl)ethylamino)ethyl)(2-hydroxypropyl)dimethylammonium sulphate
RN: 85187-96-8
InChIKey: UUCHDBLMLHGFNC-GQPWVPPYSA-L

Molecular Formula

  • C21-H29-Cl-N5-O3.1/2O4-S

Molecular Weight

  • 965.9522
 
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Names and Synonyms

Synonym

  • EINECS 286-186-6

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 85187-96-8

System Generated Number

  • 0085187968

Molecular Formulas

Molecular Formula

  • C21-H29-Cl-N5-O3.1/2O4-S

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/2C21H29ClN5O3.H2O4S/c2*1-5-25(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/h2*6-11,14,16,28H,5,12-13,15H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2/b2*24-23+;

InChIKey

UUCHDBLMLHGFNC-GQPWVPPYSA-L

Smiles

CCN(c1ccc(cc1)/N=N/c2c(cc(cc2)[N+](=O)[O-])Cl)CC[N+](CC(O)C)(C)C.CCN(c1ccc(cc1)/N=N/c2c(cc(cc2)[N+](=O)[O-])Cl)CC[N+](CC(O)C)(C)C.[O-]S(=O)(=O)[O-]