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N-Methylaniline-PEG3-TCO
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N-Methylaniline-PEG3-TCO

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Catalog NumberCCR402
IUPAC Name[(4E)-Cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[4-(N-methylanilino)butanoylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular Weight519.7
Molecular FormulaC28H45N3O6
Canonical SMILESCN(CCCC(=O)NCCOCCOCCOCCNC(=O)OC1CCCC=CCC1)C2=CC=CC=C2
InChIInChI=1S/C28H45N3O6/c1-31(25-11-6-5-7-12-25)18-10-15-27(32)29-16-19-34-21-23-36-24-22-35-20-17-30-28(33)37-26-13-8-3-2-4-9-14-26/h2-3,5-7,11-12,26H,4,8-10,13-24H2,1H3,(H,29,32)(H,30,33)/b3-2+
InChI KeyZMCYADAZLUFGAX-NSCUHMNNSA-N
Purity98%
ApplicationIEDDA Click Reaction
Complexity627
Exact Mass519.33083616
Isomeric SMILESCN(CCCC(=O)NCCOCCOCCOCCNC(=O)OC1CCC/C=C/CC1)C2=CC=CC=C2
Monoisotopic Mass519.33083616
Topological Polar Surface Area98.4Ų

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