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Cyanine7.5 carboxylic acid | 1686147-68-1
| Catelog Number | F02-0021 |
| Category | Cyanine7.5 |
| Molecular Formula | C45H49ClN2O2 |
| Molecular Weight | 685.34 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| F02-0021 | -- | $-- |
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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 |
|
|---|---|
| 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 |
| InChI Key | NENPZWGBKUDTPW-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 | 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. |
Computed Properties | |
|---|---|
| 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 |
Patents
| 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 |
Applications of Fluorescent Probes & Dyes
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