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NIR-641 N-succinimidyl ester

CAT: 0013-GTR19304754-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19304754-01Size:10 mg
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Description
NIR-641 NHS ester is a near-infrared fluorescent labeling reagent. It is widely used for in vivo imaging and in vitro assays, enabling the conjugation and tracking of biomolecules such as proteins and antibodies in research applications.
CAS Number
190714-26-2
Field of Research
Cell Biology
Molecular Weight
630.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NIR-641 N-succinimidyl ester
CAS Number190714-26-2
PubChem CID16218794
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[2-[(1E,3E,5Z)-5-(1-ethyl-3,3-dimethylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]hexanoate chloride
Molecular FormulaC37H44ClN3O4
Molecular Weight630.2
Topological Polar Surface Area69.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count45
Formal Charge0
Complexity1210
SMILES
CCN\1C2=CC=CC=C2C(/C1=C/C=C/C=C/C3=[N+](C4=CC=CC=C4C3(C)C)CCCCCC(=O)ON5C(=O)CCC5=O)(C)C.[Cl-]
InChI
InChI=1S/C37H44N3O4.ClH/c1-6-38-29-19-14-12-17-27(29)36(2,3)31(38)21-9-7-10-22-32-37(4,5)28-18-13-15-20-30(28)39(32)26-16-8-11-23-35(43)44-40-33(41)24-25-34(40)42;/h7,9-10,12-15,17-22H,6,8,11,16,23-26H2,1-5H3;1H/q+1;/p-1
InChIKey
QNVXMFIPFKQFIP-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of NIR-641 N-succinimidyl ester
CAS: 190714-26-2
CID: 16218794
Formula: C37H44ClN3O4
MW: 630.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass629.3020346
Monoisotopic Mass629.3020346
Topological Polar Surface Area69.9 Ų
Heavy Atom Count45
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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