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Cyanine 5 azide

CAT: 0931-T212132-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T212132-01Size:10 mg
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CAS Number
2204261-66-3
Target
Others
Related Pathways
Others
Bioactivity
Cyanine 3.5 azide is a functionalized cyanine dye with azide groups. It serves as a click chemistry reagent, engaging in copper-catalyzed azide-alkyne cycloaddition reactions (CuAAC) with molecules containing alkyne groups. Additionally, it can undergo strain-promoted azide-alkyne cycloaddition reactions (SPAAC) with molecules having DBCO or BCN groups (excitation/emission wavelengths = 633/670 nm) .
Smiles
C(CCCCC(NCCCN=[N+]=[N-])=O)[N+]=1C=2C(C(C)(C)C1/C=C/C=C/C=C/3\C(C)(C)C=4C(N3C)=CC=CC4)=CC=CC2.[Cl-]
Molecular Formula
C35H45ClN6O
Molecular Weight
601.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cyanine5 azide
CAS Number2204261-66-3
PubChem CID146156057
IUPAC NameN-(3-azidopropyl)-6-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanamide chloride
Molecular FormulaC35H45ClN6O
Molecular Weight601.2
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count43
Formal Charge0
Complexity1110
SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCCCN=[N+]=[N-])(C)C)C)C.[Cl-]
InChI
InChI=1S/C35H44N6O.ClH/c1-34(2)27-17-11-13-19-29(27)40(5)31(34)21-8-6-9-22-32-35(3,4)28-18-12-14-20-30(28)41(32)26-15-7-10-23-33(42)37-24-16-25-38-39-36;/h6,8-9,11-14,17-22H,7,10,15-16,23-26H2,1-5H3;1H
InChIKey
QENDFXAAWUTRRV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyanine5 azide
CAS: 2204261-66-3
CID: 146156057
Formula: C35H45ClN6O
MW: 601.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight601.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass600.3343378
Monoisotopic Mass600.3343378
Topological Polar Surface Area49.7 Ų
Heavy Atom Count43
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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