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Home Carboxys 4,8-Diazabicyclo[5.2.0]nonane-4-carboxylic acid, 1,1-dimethylethyl ester

4,8-Diazabicyclo[5.2.0]nonane-4-carboxylic acid, 1,1-dimethylethyl ester

CAS No.:
1253790-47-4
Catalog Number:
AG000NKV
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
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Product Description
Catalog Number:
AG000NKV
Chemical Name:
4,8-Diazabicyclo[5.2.0]nonane-4-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
1253790-47-4
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD17015579
IUPAC Name:
tert-butyl 4,8-diazabicyclo[5.2.0]nonane-4-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-4-9-8-13-10(9)5-7-14/h9-10,13H,4-8H2,1-3H3
InChI Key:
UAPBLNAOCMMCAZ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2C(CC1)CN2)OC(C)(C)C
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.168g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties