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


Chemical Name: Benzenebutanoic acid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-, (aR)-
CAS Number: 82732-07-8
Product Number: AG0034JS(AGN-PC-0UN10R)
Synonyms:
MDL No:
Molecular Formula: C15H21NO4
Molecular Weight: 279.3315

Identification/Properties


Properties
MP:
71-78℃
BP:
439.6±38.0°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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