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1419101-50-0 | 8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 2-amino-, 1,1-dimethylethyl ester
CAS No: 1419101-50-0 Catalog No: AG001HDF MDL No:MFCD23105910
Product Description
Catalog Number:
AG001HDF
Chemical Name:
8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 2-amino-, 1,1-dimethylethyl ester
CAS Number:
1419101-50-0
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD23105910
IUPAC Name:
tert-butyl 2-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-8-4-6-9(13)10(14)7-5-8/h8-10H,4-7,13H2,1-3H3
InChI Key:
LJSMXQVRQBFKNF-UHFFFAOYSA-N
SMILES:
NC1CCC2N(C1CC2)C(=O)OC(C)(C)C
Properties
Complexity:
285
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:
55.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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