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Home > Other Heterocycles > 198210-17-2
198210-17-2 | Carbamic acid, 3-azabicyclo[3.2.1]oct-8-yl-, 1,1-dimethylethyl ester (9CI)
CAS No: 198210-17-2 Catalog No: AG002BCO MDL No:MFCD13189581
Product Description
Catalog Number:
AG002BCO
Chemical Name:
Carbamic acid, 3-azabicyclo[3.2.1]oct-8-yl-, 1,1-dimethylethyl ester (9CI)
CAS Number:
198210-17-2
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD13189581
IUPAC Name:
tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate
InChI:
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-10-8-4-5-9(10)7-13-6-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChI Key:
HHYUNZXSGVNMOY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1C2CNCC1CC2
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:
2
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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