tert-butyl (1S,5R)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate


Chemical Name: tert-butyl (1S,5R)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CAS Number: 869494-16-6
Product Number: AG0036D3(AGN-PC-0AM2Q6)
Synonyms:
MDL No:
Molecular Formula: C10H18N2O2
Molecular Weight: 198.2621

Identification/Properties


Properties
BP:
276℃
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
198.266g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
198.137g/mol
Monoisotopic Mass:
198.137g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
237
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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