tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate


Chemical Name: tert-butyl 3-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
CAS Number: 512822-27-4
Product Number: AG003STM(AGN-PC-07HB5D)
Synonyms:
MDL No: MFCD09997838
Molecular Formula: C13H21NO3
Molecular Weight: 239.3107

Identification/Properties


Properties
BP:
342.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
239.315g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
239.152g/mol
Monoisotopic Mass:
239.152g/mol
Topological Polar Surface Area:
46.6A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
316
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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