Home Carboxys 3,7,9-Triazabicyclo[3.3.1]nonane-3-carboxylic acid, 1,1-dimethylethylester

3,7,9-Triazabicyclo[3.3.1]nonane-3-carboxylic acid, 1,1-dimethylethylester

CAS No.:
868407-41-4
Catalog Number:
AG00IE88
Molecular Formula:
C11H21N3O2
Molecular Weight:
227.3033
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Product Description
Catalog Number:
AG00IE88
Chemical Name:
3,7,9-Triazabicyclo[3.3.1]nonane-3-carboxylic acid, 1,1-dimethylethylester
CAS Number:
868407-41-4
Molecular Formula:
C11H21N3O2
Molecular Weight:
227.3033
MDL Number:
MFCD23106402
IUPAC Name:
tert-butyl 3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylate
InChI:
InChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-6-8-4-12-5-9(7-14)13-8/h8-9,12-13H,4-7H2,1-3H3
InChI Key:
PVQMNBCRCMEPFN-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CNCC(C1)N2)OC(C)(C)C
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.163g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.308g/mol
Monoisotopic Mass:
227.163g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties