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Methyltetrazine-PEG5-alkyne
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Methyltetrazine-PEG5-alkyne

Catalog CCR1802907976
CAS 1802907-97-6
Synonyms 3-(4-(3,6,9,12-Tetraoxapentadec-14-yn-1-yloxy)phenyl)-6-methyl-1,2,4,5-tetrazine
IUPAC Name 3-Methyl-6-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,2,4,5-tetrazine
Molecular Weight 402.44
Molecular Formula C20H26N4O5
Canonical SMILES CC1=NN=C(N=N1)C2=CC=C(C=C2)OCCOCCOCCOCCOCC#C
InChI InChI=1S/C20H26N4O5/c1-3-8-25-9-10-26-11-12-27-13-14-28-15-16-29-19-6-4-18(5-7-19)20-23-21-17(2)22-24-20/h1,4-7H,8-16H2,2H3
InChI Key OAKPIEOTVXLRCN-UHFFFAOYSA-N
Boiling Point 568.5±60.0 °C(Predicted)
Density 1.176±0.06 g/cm3(Predicted)
Solubility Soluble in DMSO, DCM, DMF
Application IEDDA Click Reaction
Complexity 445
Exact Mass 402.19031994
Monoisotopic Mass 402.19031994
pKa 1.67±0.10(Predicted)
Topological Polar Surface Area 97.7 Ų

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