4-methylbenzenesulfonate;trimethyl-[4-(6-phenylhexa-1,3,5-trienyl)phenyl]azanium


Chemical Name: 4-methylbenzenesulfonate;trimethyl-[4-(6-phenylhexa-1,3,5-trienyl)phenyl]azanium
CAS Number: 115534-33-3
Product Number: AG008RCY(AGN-PC-0KKOZY)
Synonyms:
MDL No:
Molecular Formula: C28H31NO3S
Molecular Weight: 461.6156

Identification/Properties


Computed Properties
Molecular Weight:
461.62g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
461.202g/mol
Monoisotopic Mass:
461.202g/mol
Topological Polar Surface Area:
65.6A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
576
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback