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Home > Other Heterocycles > 941295-31-4
941295-31-4 | 9-Boc-3,9-diaza-bicyclo[3.3.1]nonane
CAS No: 941295-31-4 Catalog No: AG00H345 MDL No:MFCD20441693
Product Description
Catalog Number:
AG00H345
Chemical Name:
9-Boc-3,9-diaza-bicyclo[3.3.1]nonane
CAS Number:
941295-31-4
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD20441693
IUPAC Name:
tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-5-4-6-10(14)8-13-7-9/h9-10,13H,4-8H2,1-3H3
InChI Key:
IZLGOGRHBJIRNU-UHFFFAOYSA-N
SMILES:
O=C(N1C2CCCC1CNC2)OC(C)(C)C
Properties
Complexity:
261
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:
1.4
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