Product Name

  • Name

    1,1'-DIETHYL-3,3,3',3'-TETRAMETHYLINDOCARBOCYANINE IODIDE

  • EINECS
  • CAS No. 14696-39-0
  • Article Data4
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 147-149°C
  • Formula C27H33IN2
  • Boiling Point
  • Molecular Weight 512.477
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 14696-39-0 (1,1'-DIETHYL-3,3,3',3'-TETRAMETHYLINDOCARBOCYANINE IODIDE)
  • Hazard Symbols
  • Synonyms 1-Ethyl-2-[3-(1-ethyl-3,3-dimethyl-2-indolinylidene)propenyl]-3,3-dimethyl-3H-indoliumiodide (6CI,7CI);3H-Indolium,1-ethyl-2-[3-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1-propenyl]-3,3-dimethyl-,iodide (9CI);3H-Indolium, 1-ethyl-2-[3-(1-ethyl-3,3-dimethyl-2-indolinylidene)propenyl]-3,3-dimethyl-,iodide (8CI);1,1'-Diethyl-3,3,3',3'-tetramethylindocarbocyanine iodide;Astrophloxin;Astrophloxine;SNC 2;SNC 2 (dye);
  • PSA 6.25000
  • LogP 3.36830

Astrophloxine Specification

The CAS register number of Astrophloxine is 14696-39-0. It also can be called as 1,1'-Diethyl-3,3,3',3'-tetramethylindocarbocyanine iodide and the systematic name about this chemical is 1-ethyl-2-[(1E,3Z)-3-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-3H-indolium iodide. The molecular formula about this chemical is C27H33IN2 and molecular weight is 512.47. This chemical can be used as a fluorescent dye.

Physical properties about Astrophloxine are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 4; (3)Polar Surface Area: 6.25Å2.

Preparation: this chemical can be prepared by triethoxymethane and 1-ethyl-2,3,3-trimethyl-3H-indolium; iodide. This reaction will need reagent Et3N, pyridine. The reaction time is 1 hour(s) with reaction temperature of 120 ℃. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: [I-].c1cccc4c1C(C(=C\C=C\C3=[N+](\c2ccccc2C3(C)C)CC)\N4CC)(C)C
(2)InChI: InChI=1/C27H33N2.HI/c1-7-28-22-16-11-9-14-20(22)26(3,4)24(28)18-13-19-25-27(5,6)21-15-10-12-17-23(21)29(25)8-2;/h9-19H,7-8H2,1-6H3;1H/q+1;/p-1
(3)InChIKey: LGRNGKUSEZTBMB-REWHXWOFAI
(4)Std. InChI: InChI=1S/C27H33N2.HI/c1-7-28-22-16-11-9-14-20(22)26(3,4)24(28)18-13-19-25-27(5,6)21-15-10-12-17-23(21)29(25)8-2;/h9-19H,7-8H2,1-6H3;1H/q+1;/p-1
(5)Std. InChIKey: LGRNGKUSEZTBMB-UHFFFAOYSA-M

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