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Cyanine5 amine hydrochloride

CAT: 0931-T205850-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T205850-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1807529-70-9
Bioactivity
Cyanine5 amine, hydrochloride can undergo a copper-catalyzed azide-alkyne cycloaddition (CuAAC) reaction with terminal alkynes and can also react with carboxyl groups to label polysaccharides. It has excitation/emission wavelengths of 646/662 nm.
Smiles
[Cl-].Cl.O=C(NCCCCCCN)CCCCCN1C=2C=CC=CC2C(C1=CC=CC=CC3=[N+](C=4C=CC=CC4C3(C)C)C)(C)C
Molecular Formula
C38H54Cl2N4O
Molecular Weight
653.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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