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Substance Name: 1-Propanaminium, 3-((4-((2,4-dimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, acetate (1:1)
RN: 72829-21-1
InChIKey: RITBQYTUANFUOQ-UHFFFAOYSA-N

Molecular Formula

  • C28-H32-N3-O2.C2-H3-O2

Molecular Weight

  • 501.624
 
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Names and Synonyms

Synonyms

  • EINECS 276-908-8
  • Propanaminium, 3-((4-((2,4-dimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)trimethyl-, acetate

Systematic Names

  • (3-((4-((2,4-Dimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthryl)amino)propyl)trimethylammonium acetate
  • 1-Propanaminium, 3-((4-((2,4-dimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, acetate
  • 1-Propanaminium, 3-((4-((2,4-dimethylphenyl)amino)-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-N,N,N-trimethyl-, acetate (1:1)

Registry Numbers

CAS Registry Number

  • 72829-21-1

System Generated Number

  • 0072829211

Molecular Formulas

Molecular Formula

  • C28-H32-N3-O2.C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C28-H32-N3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C28H31N3O2.C2H4O2/c1-18-11-12-22(19(2)17-18)30-24-14-13-23(29-15-8-16-31(3,4)5)25-26(24)28(33)21-10-7-6-9-20(21)27(25)32;1-2(3)4/h6-7,9-14,17H,8,15-16H2,1-5H3,(H-,29,30,32,33);1H3,(H,3,4)

InChIKey

RITBQYTUANFUOQ-UHFFFAOYSA-N

Smiles

C(CCNc1ccc(c2C(c3ccccc3C(c12)=O)=O)Nc1c(cc(cc1)C)C)[N+](C)(C)C.C(C)(=O)[O-]