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4-Di-10-ASP

CAT: 0607-C8262-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-C8262-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95378-73-7
Form
A solid
Molecular Formula
C34H55IN2
Molecular Weight
618.72
Shipping Conditions
Blue ice
Storage Conditions
4°C, desiccated and protect from light.

Chemical Information

4-(4-(Didecylamino)styryl)-N-methylpyridinium iodide
CAS Number95378-73-7
PubChem CID5706739
IUPAC NameN,N-didecyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline iodide
Molecular FormulaC34H55IN2
Molecular Weight618.7
Topological Polar Surface Area7.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Heavy Atom Count37
Formal Charge0
Complexity479
SMILES
CCCCCCCCCCN(CCCCCCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C.[I-]
InChI
InChI=1S/C34H55N2.HI/c1-4-6-8-10-12-14-16-18-28-36(29-19-17-15-13-11-9-7-5-2)34-24-22-32(23-25-34)20-21-33-26-30-35(3)31-27-33;/h20-27,30-31H,4-19,28-29H2,1-3H3;1H/q+1;/p-1
InChIKey
PPAYPDQCRKDOKR-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 4-(4-(Didecylamino)styryl)-N-methylpyridinium iodide
CAS: 95378-73-7
CID: 5706739
Formula: C34H55IN2
MW: 618.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight618.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Exact Mass618.34100
Monoisotopic Mass618.34100
Topological Polar Surface Area7.1 Ų
Heavy Atom Count37
Formal Charge0
Complexity479
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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