Home Other Building Blocks 1-Octadecyl-4-(4-phenyl-1,3-butadienyl)pyridinium bromide

1-Octadecyl-4-(4-phenyl-1,3-butadienyl)pyridinium bromide

CAS No.:
165678-32-0
Catalog Number:
AG001WAD
Molecular Formula:
C33H50BrN
Molecular Weight:
540.6608
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>96.0%(T)
1 week
United States
$678
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Product Description
Catalog Number:
AG001WAD
Chemical Name:
1-Octadecyl-4-(4-phenyl-1,3-butadienyl)pyridinium bromide
CAS Number:
165678-32-0
Molecular Formula:
C33H50BrN
Molecular Weight:
540.6608
MDL Number:
MFCD00060045
IUPAC Name:
1-octadecyl-4-(4-phenylbuta-1,3-dienyl)pyridin-1-ium;bromide
InChI:
InChI=1S/C33H50N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-29-34-30-27-33(28-31-34)26-21-20-25-32-23-18-17-19-24-32;/h17-21,23-28,30-31H,2-16,22,29H2,1H3;1H/q+1;/p-1
InChI Key:
GERCFVKULBVBIO-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC[n+]1ccc(cc1)C=CC=Cc1ccccc1.[Br-]
Properties
Complexity:
479  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
539.313g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
540.674g/mol
Monoisotopic Mass:
539.313g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
Properties