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DBCO-amine | CAS 1255942-06-3
| Catalog Number | R01-0281 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C18H16N2O |
| Molecular Weight | 276.33 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | Azadibenzocyclooctyne-amine |
| Purity | 95 % |
| IUPAC Name | |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCN |
| InChI | InChI=1S/C18H16N2O/c19-12-11-18(21)20-13-16-7-2-1-5-14(16)9-10-15-6-3-4-8-17(15)20/h1-8H,11-13,19H2 |
| InChIKey | OCCYFTDHSHTFER-UHFFFAOYSA-N |
| Solubility | 10 mm in DMSO |
| Appearance | Slightly yellow to slightly crystalline |
| LogP | 3.04710 |
| Storage | Store at -20 °C |
| Signal | Warning |
| GHSHazardStatements | 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] |
| Precautionary Statement Codes | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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.) |
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 276.126263138 g/mol |
| Monoisotopic Mass | 276.126263138 g/mol |
| Topological Polar Surface Area | 46.3Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 447 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113476619-A | A kind of 18F-labeled nanobody probe and its preparation method and application | 2021-07-08 |
| CN-113476619-B | A kind of 18F labeled nano antibody probe and its preparation method and application | 2021-07-08 |
| WO-2023277144-A1 | Humanized antibody capable of binding to heg1 protein, and complex of said antibody and radioactive nuclear species | 2021-06-30 |
| WO-2022270549-A1 | Novel polymer-coated crosslinked alginate gel fiber | 2021-06-23 |
| WO-2022263944-A1 | Azido-containing monomers, polymers, and articles | 2021-06-16 |
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