Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-


Chemical Name: Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number: 66493-39-8
Product Number: AG003OFF(AGN-PC-0KKKRL)
Synonyms:
MDL No: MFCD00037428
Molecular Formula: C12H15NO4
Molecular Weight: 237.2518

Identification/Properties


Properties
MP:
~200 °C (dec.)
BP:
336.2 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
237.255g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
237.1g/mol
Monoisotopic Mass:
237.1g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
287
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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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