endo-BCN-PEG4-amine

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endo-BCN-PEG4-amine

endo-BCN-PEG4-amine | 1898221-77-6

Catalog Number R16-0011
Category BCN
Molecular Formula C21H36N2O6
Molecular Weight 412.52
Catalog Number Size Price Quantity
R16-0011 -- $--

Product Introduction

endo-BCN-PEG4-amine is a click chemistry crosslinker reagent. The BCN groupis very reactive with azide-tagged molecules. The amino group is reactive with carboxylic acids, activated NHS esters, carbonyls (ketone, aldehyde) etc.

Chemical Information

Synonyms ((1R,8S)-Bicyclo[6.1.0]non-4-yn-9-yl)methyl (14-amino-3,6,9,12-tetraoxatetradecyl)carbamate
Purity 98%
IUPAC Name [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
Canonical SMILES C1CC2C(C2COC(=O)NCCOCCOCCOCCOCCN)CCC#C1
InChI InChI=1S/C21H36N2O6/c22-7-9-25-11-13-27-15-16-28-14-12-26-10-8-23-21(24)29-17-20-18-5-3-1-2-4-6-19(18)20/h18-20H,3-17,22H2,(H,23,24)/t18-,19+,20?
InChI Key WNEJNBMHXJOIIL-YOFSQIOKSA-N
Solubility Water, DMSO, DCM, DMF
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 17
Exact Mass 412.25733687 g/mol
Monoisotopic Mass 412.25733687 g/mol
Topological Polar Surface Area 101Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 500
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
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
US-2017304460-A1 Method of conjugating a polypeptide 2014-10-01
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