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N-Methyl-N'-(propargyl-PEG4)-Cy5
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N-Methyl-N'-(propargyl-PEG4)-Cy5

Catalog NumberCCR2107273049
CAS2107273-04-9
Synonyms2-(5-(3,3-Dimethyl-1-(3,6,9,12-tetraoxapentadec-14-yn-1-yl)indolin-2-ylidene)penta-1,3-dien-1-yl)-1,3,3-trimethyl-3H-indol-1-ium chloride
IUPAC Name(2Z)-3,3-Dimethyl-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole;chloride
Molecular Weight619.24
Molecular FormulaC37H47ClN2O4
Canonical SMILESCC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCOCCOCCOCCOCC#C)(C)C)C)C.[Cl-]
InChIInChI=1S/C37H47N2O4.ClH/c1-7-22-40-24-26-42-28-29-43-27-25-41-23-21-39-33-18-14-12-16-31(33)37(4,5)35(39)20-10-8-9-19-34-36(2,3)30-15-11-13-17-32(30)38(34)6;/h1,8-20H,21-29H2,2-6H3;1H/q+1;/p-1
InChI KeyUMLSHKASMKAELZ-UHFFFAOYSA-M
SolubilitySoluble in DMSO, DMF, DCM
ApplicationCuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Complexity1060
Exact Mass618.3224357
Isomeric SMILESCC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C\3/C(C4=CC=CC=C4N3CCOCCOCCOCCOCC#C)(C)C)C)C.[Cl-]
Monoisotopic Mass618.3224357
Topological Polar Surface Area43.2 Ų

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