tert-butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate


Chemical Name: tert-butyl 3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxylate
CAS Number: 1250997-71-7
Product Number: AG00HHXV(AGN-PC-0WALA2)
Synonyms:
MDL No:
Molecular Formula: C7H6BrN3O2S
Molecular Weight: 276.1104

Identification/Properties


Computed Properties
Molecular Weight:
276.108g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
274.936g/mol
Monoisotopic Mass:
274.936g/mol
Topological Polar Surface Area:
84.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
243
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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