Cyanine7 carboxylic acid

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Cyanine7 carboxylic acid

Cyanine7 carboxylic acid | 1628790-40-8

Catelog Number F02-0016
Category Cyanine7
Molecular Formula C37H45ClN2O2
Molecular Weight 585.22
Catalog Number Size Price Quantity
F02-0016 -- $--

Product Introduction

Free unactivated Cyanine7 dye carboxylic acid. Near-infrared fluorescent dye.For coupling and labeling reactions also consider using pre-activated Cyanine7 NHS ester, or water-soluble sulfo-Cyanine7 NHS ester.

Chemical Information

Related CAS 1628897-82-4 (without anion) 2241083-63-4 (inner salt)
Synonyms 6-[(2E)-3,3-dimethyl-2-[2-[3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indol-1-yl]hexanoic acid;chloride; Cy7 carboxylic acid
Purity NMR 1H, HPLC-MS (95%)
IUPAC Name 6-[(2E)-3,3-dimethyl-2-[2-[3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]indol-1-yl]hexanoic acid;chloride
Canonical SMILES CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC(=CC=C4C(C5=CC=CC=C5N4CCCCCC(=O)O)(C)C)CCC3)C)C.[Cl-]
InChI InChI=1S/C37H44N2O2.ClH/c1-36(2)29-16-8-10-18-31(29)38(5)33(36)23-21-27-14-13-15-28(26-27)22-24-34-37(3,4)30-17-9-11-19-32(30)39(34)25-12-6-7-20-35(40)41;/h8-11,16-19,21-24,26H,6-7,12-15,20,25H2,1-5H3;1H
InChI Key FOVQXMYLXAXGJR-UHFFFAOYSA-N
Solubility soluble in organic solvents (DMSO, DMF, dichloromethane), low solubility in water
Appearance green powder

Product Specification

ε, L⋅mol-1⋅cm-1 199000
Excitation 750
Emission 773
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.

Computed Properties

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 9
Exact Mass 584.3169564 g/mol
Monoisotopic Mass 584.3169564 g/mol
Topological Polar Surface Area 43.6Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 1130
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes
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