Home Carboxys tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate

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

CAS No.:
1823500-01-1
Catalog Number:
AG01BGID
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
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Product Description
Catalog Number:
AG01BGID
Chemical Name:
tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate
CAS Number:
1823500-01-1
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD28098139
IUPAC Name:
tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-9-5-4-6-10(8-14)13-9/h9-10,13H,4-8H2,1-3H3
InChI Key:
NRSXXKHXMGDSKT-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CCCC(C1)N2)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  
Properties