Methyltetrazine-PEG8-amine HCl salt

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Methyltetrazine-PEG8-amine HCl salt

Methyltetrazine-PEG8-amine HCl salt

Catelog Number R08-0041
Category Tetrazines
Molecular Formula C25H42ClN5O8
Molecular Weight 576.1
Catalog Number Size Price Quantity
R08-0041 -- $--

Product Introduction

Methyltetrazine-PEG8-amine is an aqueous soluble amine-containing click chemistry crosslinker. Methyl group improves the stability and hydrophilic PEG spacer increases water-solubility. The amine (NH2) group is reactive with carboxylic acid containing molecule in the presence of reagnet such as EDC or HATU. Methyltetrazine enable fast click reaction with TCO (trans-cycloctene)

Chemical Information

Purity 98%
IUPAC Name 2-[2-[2-[2-[2-[2-[2-[2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;hydrochloride
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCCOCCOCCOCCN.Cl
InChI InChI=1S/C25H41N5O8.ClH/c1-22-27-29-25(30-28-22)23-2-4-24(5-3-23)38-21-20-37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-9-8-31-7-6-26;/h2-5H,6-21,26H2,1H3;1H
InChI Key PUHZOALAUDKWOY-UHFFFAOYSA-N
Solubility Water, DMSO, DCM, DMF

Product Specification

Storage -20 °C

Computed Properties

Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 25
Exact Mass 575.2721910 g/mol
Monoisotopic Mass 575.2721910 g/mol
Topological Polar Surface Area 151Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 512
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 2
Compound Is Canonicalized Yes
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