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Cy5.5 alkyne
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Cy5.5 alkyne

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Catalog NumberCCR1628790373
CAS1628790-37-3
SynonymsCyanine5.5 alkyne (chloride)
IUPAC Name6-[(2Z)-1,1-Dimethyl-2-[(2E,4E)-5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]-N-prop-2-ynylhexanamide;chloride
Molecular Weight656.3
Molecular FormulaC43H46ClN3O
Canonical SMILESCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=CC=C4C(C5=C(N4CCCCCC(=O)NCC#C)C=CC6=CC=CC=C65)(C)C)C.[Cl-]
InChIInChI=1S/C43H45N3O.ClH/c1-7-29-44-39(47)24-12-9-17-30-46-36-28-26-32-19-14-16-21-34(32)41(36)43(4,5)38(46)23-11-8-10-22-37-42(2,3)40-33-20-15-13-18-31(33)25-27-35(40)45(37)6;/h1,8,10-11,13-16,18-23,25-28H,9,12,17,24,29-30H2,2-6H3;1H
InChI KeyZAMUEMBIJDLVQF-UHFFFAOYSA-N
Purity96%
SolubilitySoluble in DMSO, DMF, DCM
ApplicationCuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Storage-20 °C
Complexity1310
Exact Mass655.3329408
Isomeric SMILESCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C=C\4/C(C5=C(N4CCCCCC(=O)NCC#C)C=CC6=CC=CC=C65)(C)C)C.[Cl-]
Monoisotopic Mass655.3329408
Topological Polar Surface Area35.4Ų

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