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Home > Pyridines > 286944-31-8
286944-31-8 | 2,5-Diazabicyclo[2.2.2]octane, 2-(3-pyridinyl)-, (1R,4R)-
CAS No: 286944-31-8 Catalog No: AG002W4L MDL No:MFCD18833377
Product Description
Catalog Number:
AG002W4L
Chemical Name:
2,5-Diazabicyclo[2.2.2]octane, 2-(3-pyridinyl)-, (1R,4R)-
CAS Number:
286944-31-8
Molecular Formula:
C11H15N3
Molecular Weight:
189.2569
MDL Number:
MFCD18833377
IUPAC Name:
(1R,4R)-2-pyridin-3-yl-2,5-diazabicyclo[2.2.2]octane
InChI:
InChI=1S/C11H15N3/c1-2-10(6-12-5-1)14-8-9-3-4-11(14)7-13-9/h1-2,5-6,9,11,13H,3-4,7-8H2/t9-,11-/m1/s1
InChI Key:
IKJZJZXKGKENDY-MWLCHTKSSA-N
SMILES:
c1ccc(cn1)N1C[C@H]2CC[C@@H]1CN2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
189.127g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.262g/mol
Monoisotopic Mass:
189.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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