Carbamic acid, [(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester


Chemical Name: Carbamic acid, [(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester
CAS Number: 66389-80-8
Product Number: AG006MC0(AGN-PC-0NARLQ)
Synonyms:
MDL No:
Molecular Formula: C13H16N2O2
Molecular Weight: 232.2783

Identification/Properties


Properties
MP:
90-92℃
BP:
392.9 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
232.283g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
232.121g/mol
Monoisotopic Mass:
232.121g/mol
Topological Polar Surface Area:
62.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
303
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


NMR Spectrum


Other Analytical Data


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