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Cyanine5 amine hydrochloride

CAT: 0013-GTR19340375-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19340375-01Size:1 mg
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Description
This amine-reactive Cyanine5 derivative is a near-infrared fluorescent dye (Ex/Em 646/662 nm) suitable for labeling biomolecules via CuAAC click chemistry or carboxylate conjugation. It is widely used for in vitro and in vivo imaging applications, including polysaccharide tracking and biomarker detection in biological research.
CAS Number
1807529-70-9
Molecular Weight
653.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyanine5 amine
CAS Number1807529-70-9
PubChem CID126455646
IUPAC Name6-[6-[3,3-dimethyl-2-[5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indol-1-yl]hexanoylamino]hexylazanium dichloride
Molecular FormulaC38H54Cl2N4O
Molecular Weight653.8
Topological Polar Surface Area63
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count45
Formal Charge0
Complexity1030
SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CC=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCCCCCC[NH3+])(C)C)C)C.[Cl-].[Cl-]
InChI
InChI=1S/C38H52N4O.2ClH/c1-37(2)30-20-13-15-22-32(30)41(5)34(37)24-10-8-11-25-35-38(3,4)31-21-14-16-23-33(31)42(35)29-19-9-12-26-36(43)40-28-18-7-6-17-27-39;;/h8,10-11,13-16,20-25H,6-7,9,12,17-19,26-29,39H2,1-5H3;2*1H
InChIKey
ATDODHVIKOGGOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyanine5 amine
CAS: 1807529-70-9
CID: 126455646
Formula: C38H54Cl2N4O
MW: 653.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight653.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass652.3674677
Monoisotopic Mass652.3674677
Topological Polar Surface Area63 Ų
Heavy Atom Count45
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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