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Home > Pyridines > 1822827-89-3
1822827-89-3 | (8-AZABICYCLO[3.2.1]OCTAN-3-YL)(PYRIDIN-3-YL)METHANONE HYDROCHLORIDE
CAS No: 1822827-89-3 Catalog No: AG01AS5K MDL No:MFCD28166016
Product Description
Catalog Number:
AG01AS5K
Chemical Name:
(8-AZABICYCLO[3.2.1]OCTAN-3-YL)(PYRIDIN-3-YL)METHANONE HYDROCHLORIDE
CAS Number:
1822827-89-3
Molecular Formula:
C13H17ClN2O
Molecular Weight:
252.7399
MDL Number:
MFCD28166016
IUPAC Name:
8-azabicyclo[3.2.1]octan-3-yl(pyridin-3-yl)methanone;hydrochloride
InChI:
InChI=1S/C13H16N2O.ClH/c16-13(9-2-1-5-14-8-9)10-6-11-3-4-12(7-10)15-11;/h1-2,5,8,10-12,15H,3-4,6-7H2;1H
InChI Key:
PKBUXMSMKKYNDW-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)C1CC2CCC(C1)N2.Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.742g/mol
Monoisotopic Mass:
252.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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