200,000+ products from a single source!
sales@angenechem.com
114040-99-2 | Pyridinium, 1-methyl-4-[2-[4-(octadecyloxy)phenyl]ethenyl]-, iodide (1:1)
CAS No: 114040-99-2 Catalog No: AG000ADF MDL No:
Product Description
Catalog Number:
AG000ADF
Chemical Name:
Pyridinium, 1-methyl-4-[2-[4-(octadecyloxy)phenyl]ethenyl]-, iodide (1:1)
CAS Number:
114040-99-2
Molecular Formula:
C32H50INO
Molecular Weight:
591.6500
IUPAC Name:
1-methyl-4-[2-(4-octadecoxyphenyl)ethenyl]pyridin-1-ium;iodide
InChI:
InChI=1S/C32H50NO.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-34-32-23-21-30(22-24-32)19-20-31-25-27-33(2)28-26-31;/h19-28H,3-18,29H2,1-2H3;1H/q+1;/p-1
InChI Key:
HRTUYDNTESTOMU-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCCOc1ccc(cc1)C=Cc1cc[n+](cc1)C.[I-]
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
591.294g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
591.662g/mol
Monoisotopic Mass:
591.294g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.