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Cyanine7.5 amine

CAT: 0013-GTR19340345-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19340345-01Size:10 mg
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Description
Cyanine7.5 amine is a near-infrared (NIR) fluorescent dye. This compound features a free amino group, making it suitable for conjugation with activated carboxylic acid derivatives.
CAS Number
2104005-17-4
Molecular Weight
819.986
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cy7.5 amine
CAS Number2104005-17-4
PubChem CID91757854
IUPAC Name6-[6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanoylamino]hexylazanium dichloride
Molecular FormulaC51H64Cl2N4O
Molecular Weight820.0
Topological Polar Surface Area63
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count58
Formal Charge0
Complexity1510
SMILES
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C4=C/C(=C/C=C/5\C(C6=C(N5CCCCCC(=O)NCCCCCC[NH3+])C=CC7=CC=CC=C76)(C)C)/CCC4)C.[Cl-].[Cl-]
InChI
InChI=1S/C51H62N4O.2ClH/c1-50(2)45(54(5)43-29-27-39-20-10-12-22-41(39)48(43)50)31-25-37-18-17-19-38(36-37)26-32-46-51(3,4)49-42-23-13-11-21-40(42)28-30-44(49)55(46)35-16-8-9-24-47(56)53-34-15-7-6-14-33-52;;/h10-13,20-23,25-32,36H,6-9,14-19,24,33-35,52H2,1-5H3;2*1H
InChIKey
VVNSSDUAJNZJAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cy7.5 amine
CAS: 2104005-17-4
CID: 91757854
Formula: C51H64Cl2N4O
MW: 820.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight820.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass818.4457181
Monoisotopic Mass818.4457181
Topological Polar Surface Area63 Ų
Heavy Atom Count58
Formal Charge0
Complexity1510
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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260C0Cyanine7.5 amine, 5 mg
660C0Cyanine7.5 amine, 100 mg
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160C0Cyanine7.5 amine, 1 mg
360C0Cyanine7.5 amine, 10 mg
560C0Cyanine7.5 amine, 50 mg
460C0Cyanine7.5 amine, 25 mg
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