3,8-Diazabicyclo[4.2.0]octane-8-carboxylic acid, 1,1-dimethylethylester, (1S,6R)-


Chemical Name: 3,8-Diazabicyclo[4.2.0]octane-8-carboxylic acid, 1,1-dimethylethylester, (1S,6R)-
CAS Number: 851526-80-2
Product Number: AG00G9K0(AGN-PC-0UY70S)
Synonyms:
MDL No: MFCD18375267
Molecular Formula: C11H20N2O2
Molecular Weight: 212.2887

Identification/Properties


Computed Properties
Molecular Weight:
212.293g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
212.152g/mol
Monoisotopic Mass:
212.152g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
260
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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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