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Substance Name: Dicyanine
RN: 52260-69-2
InChIKey: PGPWDXMONHNWIC-UHFFFAOYSA-M

Molecular Formula

  • C27-H29-N2.I

Molecular Weight

  • 508.44
 
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Names and Synonyms

Name of Substance

  • Dicyanine

Synonym

  • EINECS 257-795-4

Systematic Names

  • 1-Ethyl-2-(3-(1-ethyl-2-methyl-4(1H)-quinolylidene)prop-1-enyl)-4-methylquinolinium iodide
  • Quinolinium, 1-ethyl-2-(3-(1-ethyl-2-methyl-4(1H)-quinolinylidene)-1-propenyl)-4-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 52260-69-2

System Generated Number

  • 0052260692

Molecular Formulas

Molecular Formula

  • C27-H29-N2.I

Molecular Formula Fragments

  • C27-H29-N2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C27H29N2.HI/c1-5-28-21(4)19-22(25-15-8-10-17-27(25)28)12-11-13-23-18-20(3)24-14-7-9-16-26(24)29(23)6-2;/h7-19H,5-6H2,1-4H3;1H/q+1;/p-1

InChIKey

PGPWDXMONHNWIC-UHFFFAOYSA-M

Smiles

[n+]1(c2c(c(cc1\C=C/C=C1\C=C(C)N(c3c1cccc3)CC)C)cccc2)CC.[IH-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 5.940 (none)   EST
Atmospheric OH Rate Constant 2.37E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.