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4-Di-16-ASP

CAT: 0607-C8304-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-C8304-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
114041-00-8
Form
A solid
Molecular Formula
C46H79IN2
Molecular Weight
787.04
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C, protect from light.

Chemical Information

4-(p-Dihexadecylaminostyryl)-N-methylpyridinium iodide

4-(4-dihexadecylaminostyryl)-N-methylpyridium iodide is a pyridinium salt and an organic iodide salt. It has a role as a fluorochrome. It contains a 4-(4-dihexadecylaminostyryl)-N-methylpyridium.

CAS Number114041-00-8
PubChem CID6439243
IUPAC NameN,N-dihexadecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide
Molecular FormulaC46H79IN2
Molecular Weight787.0
Topological Polar Surface Area7.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count33
Heavy Atom Count49
Formal Charge0
Complexity640
SMILES
CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C.[I-]
InChI
InChI=1S/C46H79N2.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40-48(41-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)46-36-34-44(35-37-46)32-33-45-38-42-47(3)43-39-45;/h32-39,42-43H,4-31,40-41H2,1-3H3;1H/q+1;/p-1
InChIKey
YPGZWUVVEWKKDQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 4-(p-Dihexadecylaminostyryl)-N-methylpyridinium iodide
CAS: 114041-00-8
CID: 6439243
Formula: C46H79IN2
MW: 787.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight787.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count33
Exact Mass786.52880
Monoisotopic Mass786.52880
Topological Polar Surface Area7.1 Ų
Heavy Atom Count49
Formal Charge0
Complexity640
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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