Benzenebutanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-, (aS)-


Chemical Name: Benzenebutanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-, (aS)-
CAS Number: 100564-78-1
Product Number: AG0002CL(AGN-PC-0OPTG7)
Synonyms:
MDL No:
Molecular Formula: C15H21NO4
Molecular Weight: 279.3315

Identification/Properties


Properties
MP:
76-80 °C
BP:
439.6 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Solubility:
Soluble in methanol.
Computed Properties
Molecular Weight:
279.336g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
279.147g/mol
Monoisotopic Mass:
279.147g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
329
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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