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JC-1 structure
JC-1 structure

JC-1

Iupac Name:5,6-dichloro-2-[3-(5,6-dichloro-1,3-diethylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-diethylbenzimidazole;iodide
CAS No.:47729-63-5
Molecular Weight:652.223
1. Names and Identifiers
1.1 Name
JC-1
1.2 Synonyms

1,1',3,3'-TETRAETHYL-5,5',6,6'-TETRACHLOROBENZIMIDAZOLOCARBOCYANINE IODIDE 1,1',3,3'-TETRAETHYL-5,5',6,6'-TETRACHLOROIMIDACARBOCYANINE IODIDE 1-DODECYL-2-[(E)-3-(1-DODECYL-3,3-DIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3,3-DIMETHYL-3H-INDOLIUM PERCHLORATE 1H-3,1-Benzimidazolium, 5,6-dichloro-2-[(1E)-3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propen-1-yl]-1,3-diethyl-, iodide (1:1) 1H-BENZIMIDAZOLIUM, 5,6-DICHLORO-2-[3-(5,6-DICHLORO-1,3-DIETHYL-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-YLIDENE)-1-PROPENYL]-1,3-DIETHYL-, IODIDE 3H-INDOLIUM, 1-DODECYL-2-[3-(1-DODECYL-1,3-DIHYDRO-3,3-DIMETHYL-2H-INDOL-2-YLIDENE)-1-PROPENYL]-3,3-DIMETHYL-, PERCHLORATE 5,5',6,6'-TETRACHLORO-1,1',3,3'-TETRAETHYLBENZIMIDAZOLYLCARBOCYANINE IODIDE 5,6-Dichloro-2-[(1E)-3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propen-1-yl]-1,3-diethyl-1H-3,1-benzimidazol-3-ium iodide 5,6-Dichloro-2-[(1E)-3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-en-1-yl]-1,3-diethyl-1H-3,1-benzimidazol-3-ium iodide 5,6-DICHLORO-2-[(E)-3-(5,6-DICHLORO-1,3-DIETHYL-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-YLIDENE)-1-PROPENYL]-1,3-DIETHYL-3H-BENZIMIDAZOL-1-IUM IODIDE 5,6-DICHLORO-2-[3-(5,6-DICHLORO-1,3-DIETHYL-2-BENZIMIDAZOLINYLIDENE)PROPENYL]-1,3-DIETHYLBENZIMIDAZOLIUM IODIDE JC-1 . iodide JC-1.IODIDE MFCD00467464

1.3 CAS No.
47729-63-5
1.4 CID
5492929
1.5 Molecular Formula
C25H27Cl4IN4 (isomer)
1.6 Inchi
InChI=1S/C25H27Cl4N4.HI/c1-5-30-20-12-16(26)17(27)13-21(20)31(6-2)24(30)10-9-11-25-32(7-3)22-14-18(28)19(29)15-23(22)33(25)8-4;/h9-15H,5-8H2,1-4H3;1H/q+1;/p-1
1.7 InChkey
FYNNIUVBDKICAX-UHFFFAOYSA-M
1.8 Canonical Smiles
CCN1C2=CC(=C(C=C2[N+](=C1C=CC=C3N(C4=CC(=C(C=C4N3CC)Cl)Cl)CC)CC)Cl)Cl.[I-]
1.9 Isomers Smiles
CCN1C2=CC(=C(C=C2[N+](=C1/C=C/C=C3N(C4=CC(=C(C=C4N3CC)Cl)Cl)CC)CC)Cl)Cl.[I-]
2. Properties
3.1 Precise Quality
650.003418
3.1 PSA
18.67000
3.1 logP
8.15140
3.1 Appearance
solid
3.2 StorageTemp
-20C
3. Safety and Handling
4.1 Risk Statements
22-24/25
4.1 Safety Statements
22-24/25
4.1 WGK Germany
3
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Other Information
5.0 General Description
A cationic, fluorescent, carbocyanine dye that can be used as a ratiometric indicator of mitochondrial potential ΔΨm in cells, tissues, and isolated mitochondria. It labels mitochondria with high membrane potential orange and mitochondria with low membrane potential green. Mitochondrial depolarization is indicated by a decrease in the red/green fluorescence intensity ratio. Ideal for detection of collapse of ΔΨm induced by uncouplers of mitochondrial respiration. The potential-sensitive color shift is due to concentration-dependent formation of red fluorescent J-aggregates. JC-1 has also been used in a functional assay of multidrug-resistance cells and in apoptosis-related mitochondrial modifications.
6. Computational chemical data
  • Molecular Weight:652.223g/mol
  • Molecular Formula:C25H27Cl4IN4
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:652.00051
  • Monoisotopic Mass:650.00346
  • Complexity:625
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:15.3
  • Heavy Atom Count:34
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
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JC-1.Iodide
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  • Time: 2019/11/26
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