benzyl 2-amino-4-phenylbutanoate;4-methylbenzenesulfonic acid


Chemical Name: benzyl 2-amino-4-phenylbutanoate;4-methylbenzenesulfonic acid
CAS Number: 117560-24-4
Product Number: AG0077Q7(AGN-PC-07Y47U)
Synonyms:
MDL No:
Molecular Formula: C24H27NO5S
Molecular Weight: 441.5399

Identification/Properties


Computed Properties
Molecular Weight:
441.542g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
441.161g/mol
Monoisotopic Mass:
441.161g/mol
Topological Polar Surface Area:
115A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
487
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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