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Chemical structure of 3,3'-Diethyloxacarbocyanine iodide

GC62791

3,3'-Diethyloxacarbocyanine iodide

Also known as 3-ethyl-2-[3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide

3,3'-Diethyloxacarbocyanine iodide is a microviscosity probe for micelles and microemulsions

ChemicalCAS905-96-4MW460.31FormulaC21H21IN2O2
CAS number
905-96-4
Molecular weight
460.31
Formula
C21H21IN2O2
Solubility
DMSO ： 20·83 mg/mL (45·25 mM; ultrasonic and warming and heat to 60°C)
InChIKey
FIZZUEJIOKEFFZ-UHFFFAOYSA-M
Catalogue number
GC62791
Brand
GLPBIO
Computed properties PubChem CID 92848 · TPSA 29.5 Ų · H-bond donors 0 · H-bond acceptors 4
TPSA
29.5 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26

SMILES CCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CC.[I-]

Computed descriptors from PubChem (CID 92848), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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