Cryptocyanine

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Cryptocyanine

Cryptocyanine | CAS 4727-50-8

Catalog Number A17-0082
Category Laser Dyes
Molecular Formula C25H25IN2
Molecular Weight 480.38
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Product Introduction

Near-infrared fluorescent dye for optical imaging and photothermal therapy. Exhibits high absorption and biocompatibility.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

  • Literatures

Synonyms 1-ethyl-4-[(3-(1-ethyl-4(1H)-quinolinylidene)-1-propenyl]-quinolinium iodide; 1,1'-diethyl-4,4'-carbocyanine iodide
IUPAC Name (4E)-1-ethyl-4-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline;iodide
Canonical SMILES CCN1C=CC(=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41.[I-]
InChI InChI=1S/C25H25N2.HI/c1-3-26-18-16-20(22-12-5-7-14-24(22)26)10-9-11-21-17-19-27(4-2)25-15-8-6-13-23(21)25;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1
InChIKey CEJANLKHJMMNQB-UHFFFAOYSA-M
Signal Danger
GHSHazardStatements H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.44%): 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]
Precautionary Statement Codes P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.)
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 480.10625 g/mol
Monoisotopic Mass 480.10625 g/mol
Topological Polar Surface Area 7.1Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 527
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
PMID Publication Date Title Journal
17480068 2007-05-31 Tracking ultrafast excited-state bond-twisting motion in solution close to the Franck-Condon point The journal of physical chemistry. B
9333 1976-11-01 Association of inflammatory bowel disease and large vascular lesions Gastroenterology

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