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286944-33-0 | 2,5-Diazabicyclo[2.2.1]heptane, 2-(3-pyridinylmethyl)-, (1R,4R)-
CAS No: 286944-33-0 Catalog No: AG002W4K MDL No:
Product Description
Catalog Number:
AG002W4K
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane, 2-(3-pyridinylmethyl)-, (1R,4R)-
CAS Number:
286944-33-0
Molecular Formula:
C11H15N3
Molecular Weight:
189.2569
IUPAC Name:
(1R,4R)-2-(pyridin-3-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
InChI:
InChI=1S/C11H15N3/c1-2-9(5-12-3-1)7-14-8-10-4-11(14)6-13-10/h1-3,5,10-11,13H,4,6-8H2/t10-,11-/m1/s1
InChI Key:
PFYCHDZKRMJBFY-GHMZBOCLSA-N
SMILES:
c1ccc(cn1)CN1C[C@H]2C[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:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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