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Cyanine3 alkyne

CAT: 0931-T205849-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T205849-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1902918-31-3
Bioactivity
Alkyne is a commonly utilized biolabeling group. It forms stable bioconjugates with azide through a copper-catalyzed azide–alkyne cycloaddition (CuAAC) reaction. The excitation/emission (Ex/Em) wavelengths are 554/566 nm.
Smiles
O=C(NCC#C)CCCCCN1C=2C=CC=CC2C(C1=CC=CC3=[N+](C=4C=CC=CC4C3(C)C)C)(C)C
Molecular Formula
C33H40N3O
Molecular Weight
494.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(3-(3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)indolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium
CAS Number1902918-31-3
PubChem CID78120663
IUPAC Name6-[3,3-dimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indol-1-yl]-N-prop-2-ynylhexanamide
Molecular FormulaC33H40N3O+
Molecular Weight494.7
XLogP6.1
Topological Polar Surface Area35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge1
Complexity975
SMILES
CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3CCCCCC(=O)NCC#C)(C)C)C)C
InChI
InChI=1S/C33H39N3O/c1-7-23-34-31(37)22-9-8-14-24-36-28-19-13-11-17-26(28)33(4,5)30(36)21-15-20-29-32(2,3)25-16-10-12-18-27(25)35(29)6/h1,10-13,15-21H,8-9,14,22-24H2,2-6H3/p+1
InChIKey
ZAEMCWBMKGHPLO-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of 2-(3-(3,3-Dimethyl-1-(6-oxo-6-(prop-2-yn-1-ylamino)hexyl)indolin-2-ylidene)prop-1-en-1-yl)-1,3,3-trimethyl-3H-indol-1-ium
CAS: 1902918-31-3
CID: 78120663
Formula: C33H40N3O+
MW: 494.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.7
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass494.317137908
Monoisotopic Mass494.317137908
Topological Polar Surface Area35.4 Ų
Heavy Atom Count37
Formal Charge1
Complexity975
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count2
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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558815Sulfo-Cyanine3 alkyne
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E10B0Cyanine3 alkyne, 50 mg
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