DBCO-amine

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DBCO-amine

DBCO-amine | 1255942-06-3

Catalog Number R01-0281
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C18H16N2O
Molecular Weight 276.33
Catalog Number Size Price Quantity
R01-0281 -- $--

Chemical Information

Synonyms Azadibenzocyclooctyne-amine
Purity 95 %
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
InChI Key OCCYFTDHSHTFER-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Appearance Slightly yellow to slightly crystalline
Melting Point 86-96 °C
LogP 3.04710
  • Product Specification
Storage Store at -20 °C
Signal Warning
GHS Hazard Statements 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.)

Computed Properties

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

Patents

Publication NumberTitlePriority 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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