N-(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethyloxycarbonyl-1,8-diamino-3,6-dioxaoctane - ≥95% , CAS No.1263166-93-3

CAS: 1263166-93-3 Cat. No.: N159029 Molecular Weight: 324.42

GRADE & PURITY ≥95%

Synonyms

(1 alpha, 8 alpha, beta 9) - double loop (6.1.0) N - (2 - [2 - (2 - amino ethoxy) ethoxy] ethyl} carbamate non - 4 - acetylene - 9 - methyl ester | BCN-POE3-NH2 | BCN-amine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Amine functionalized cyclooctyne derivative. Cyclooctynes are useful in strain-promoted copper-free azide-alkyne cycloaddition reactions. This strained cyclooctyne will react with azide functionalized compounds or biomolecules without the need for a copper catalyst to result in a stable triazole linkage.
N-[(1R,8S,9s)-Bicyclo[6.1.0]non-4-yn-9-ylmethyloxycarbonyl]-1,8-diamino-3,6-dioxaoctane may be used to functionalize hyaluronic acid with bicyclo[6.1.0]nonyne (BCN) for the development of responsive HA-based physical hydrogels with tunable properties

Specifications

Synonyms

(1 alpha, 8 alpha, beta 9) - double loop (6.1.0) N - (2 - [2 - (2 - amino ethoxy) ethoxy] ethyl} carbamate non - 4 - acetylene - 9 - methyl ester | BCN-POE3-NH2 | BCN-amine

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CC2C(C2COC(=O)NCCOCCOCCN)CCC#C1
• IUPAC Name: [(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
• InChIKey: YZGOWXGENSKDSE-XYPWUTKMSA-N
• INCHI: 1S/C17H28N2O4/c18-7-9-21-11-12-22-10-8-19-17(20)23-13-16-14-5-3-1-2-4-6-15(14)16/h14-16H,3-13,18H2,(H,19,20)/t14-,15+,16?
• Isomeric SMILES: C1C[C@@H]2[C@@H](C2COC(=O)NCCOCCOCCN)CCC#C1
• Molecular Weight: 324.42
• Reaxy-Rn: 55413177
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=55413177&ln=

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Flash Point(°C): 248 °C
• Molecular Weight: 324.400 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 324.205 Da
• Monoisotopic Mass: 324.205 Da
• Topological Polar Surface Area: 82.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 411.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1