3,3'-Dipentyloxacarbocyanine iodide

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3,3'-Dipentyloxacarbocyanine iodide

3,3'-Dipentyloxacarbocyanine iodide | 53213-81-3

Catelog Number A16-0164
Category Cell membrane Fluorescent Probes
Molecular Formula C27H33IN2O2
Molecular Weight 544.47
Catalog Number Size Price Quantity
A16-0164 -- $--

Product Introduction

3,3'-Dipentyloxacarbocyanine iodide is a lipophilic fluorescent stain for labeling membranes.

Chemical Information

Synonyms DiOC5(3)
IUPAC Name (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole;iodide
Canonical SMILES CCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCC.[I-]
InChI InChI=1S/C27H33N2O2.HI/c1-3-5-11-20-28-22-14-7-9-16-24(22)30-26(28)18-13-19-27-29(21-12-6-4-2)23-15-8-10-17-25(23)31-27;/h7-10,13-19H,3-6,11-12,20-21H2,1-2H3;1H/q+1;/p-1
InChI Key CDLMLYASVIQVPH-UHFFFAOYSA-M

Product Specification

Excitation 532
Emission 580
Signal Danger
GHS Hazard Statements H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties

Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 10
Exact Mass 544.15868 g/mol
Monoisotopic Mass 544.15868 g/mol
Topological Polar Surface Area 29.5Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 554
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes
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