Home Carboxys tert-Butyl 3-oxo-4,9-diazabicyclo[4.2.1]nonane-9-carboxylate

tert-Butyl 3-oxo-4,9-diazabicyclo[4.2.1]nonane-9-carboxylate

CAS No.:
1312456-05-5
Catalog Number:
AG00HSEF
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
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Product Description
Catalog Number:
AG00HSEF
Chemical Name:
tert-Butyl 3-oxo-4,9-diazabicyclo[4.2.1]nonane-9-carboxylate
CAS Number:
1312456-05-5
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
MDL Number:
MFCD22566168
IUPAC Name:
tert-butyl 4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
InChI:
InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-8-4-5-9(14)7-13-10(15)6-8/h8-9H,4-7H2,1-3H3,(H,13,15)
InChI Key:
FZDUEORZXQGBEC-UHFFFAOYSA-N
SMILES:
O=C1NCC2N(C(C1)CC2)C(=O)OC(C)(C)C
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties