Home Sulfos 3-(4-(2-(6-(Dioctylamino)naphthalen-2-yl)vinyl)pyridin-1-ium-1-yl)propane-1-sulfonate

3-(4-(2-(6-(Dioctylamino)naphthalen-2-yl)vinyl)pyridin-1-ium-1-yl)propane-1-sulfonate

CAS No.:
157134-53-7
Catalog Number:
AG001P8W
Molecular Formula:
C36H52N2O3S
Molecular Weight:
592.8747
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$160
- +
5mg
≥98%
1 week
United States
$439
- +
Product Description
Catalog Number:
AG001P8W
Chemical Name:
3-(4-(2-(6-(Dioctylamino)naphthalen-2-yl)vinyl)pyridin-1-ium-1-yl)propane-1-sulfonate
CAS Number:
157134-53-7
Molecular Formula:
C36H52N2O3S
Molecular Weight:
592.8747
MDL Number:
MFCD03453608
IUPAC Name:
3-[4-[(E)-2-[6-(dioctylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate
InChI:
InChI=1S/C36H52N2O3S/c1-3-5-7-9-11-13-25-38(26-14-12-10-8-6-4-2)36-21-20-34-30-33(18-19-35(34)31-36)17-16-32-22-27-37(28-23-32)24-15-29-42(39,40)41/h16-23,27-28,30-31H,3-15,24-26,29H2,1-2H3
InChI Key:
IXFSUSNUALIXLU-UHFFFAOYSA-N
SMILES:
CCCCCCCCN(c1ccc2c(c1)ccc(c2)/C=C/c1cc[n+](cc1)CCCS(=O)(=O)[O-])CCCCCCCC
Properties
Complexity:
789  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
592.37g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
592.883g/mol
Monoisotopic Mass:
592.37g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6  
Literature
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Properties