Cyanine7.5 carboxylic acid

What We Offer

Cyanine7.5 carboxylic acid

Cyanine7.5 carboxylic acid | CAS 1686147-68-1

Catalog Number F02-0021
Category Cyanine7.5
Molecular Formula C45H49ClN2O2
Molecular Weight 685.34
Inquiry

* Please be kindly noted products are not for therapeutic use. We do not sell to patients.

Product Introduction

Free unactivated Cyanine7.5 NIR dye carboxylic acid.For coupling and labeling reactions also consider using pre-activated Cyanine7.5 NHS ester.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

  • Patents

Related CAS 1803099-44-6 (chloride)
Synonyms 6-[1,1-dimethyl-2-[2-[3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanoic acid;chloride
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 6-[1,1-dimethyl-2-[2-[3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanoic acid;chloride
Canonical SMILES CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=CC(=CC=C5C(C6=C(N5CCCCCC(=O)O)C=CC7=CC=CC=C76)(C)C)CCC4)C.[Cl-]
InChI InChI=1S/C45H48N2O2.ClH/c1-44(2)39(46(5)37-25-23-33-16-8-10-18-35(33)42(37)44)27-21-31-14-13-15-32(30-31)22-28-40-45(3,4)43-36-19-11-9-17-34(36)24-26-38(43)47(40)29-12-6-7-20-41(48)49;/h8-11,16-19,21-28,30H,6-7,12-15,20,29H2,1-5H3;1H
InChIKey NENPZWGBKUDTPW-UHFFFAOYSA-N
Solubility soluble in organic solvents (DMSO, DMF, dichloromethane), low solubility in water
Appearance green powder
ε, L⋅mol-1⋅cm-1 223000
Excitation 788
Emission 808
Storage 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light. Desiccate.
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 9
Exact Mass 684.3482565 g/mol
Monoisotopic Mass 684.3482565 g/mol
Topological Polar Surface Area 43.6Ų
Heavy Atom Count 50
Formal Charge 0
Complexity 1390
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 3
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes
Publication Number Title Priority Date
US-2016178510-A1 A coating composition comprising a dye and a method to detect moisture in objects 2013-08-02

Recommended Services

Recommended Articles

Recommended Products

Online Inquiry

Verification code
cartIcon
Inquiry Basket