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286945-74-2 | 3,9-Diazabicyclo[4.2.1]nonane, 3-(3-pyridinyl)-
CAS No: 286945-74-2 Catalog No: AG002W4H MDL No:
Product Description
Catalog Number:
AG002W4H
Chemical Name:
3,9-Diazabicyclo[4.2.1]nonane, 3-(3-pyridinyl)-
CAS Number:
286945-74-2
Molecular Formula:
C12H17N3
Molecular Weight:
203.2835
IUPAC Name:
3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonane
InChI:
InChI=1S/C12H17N3/c1-2-12(8-13-6-1)15-7-5-10-3-4-11(9-15)14-10/h1-2,6,8,10-11,14H,3-5,7,9H2
InChI Key:
IMAFPMMJFGWHQM-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)N1CCC2NC(C1)CC2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.289g/mol
Monoisotopic Mass:
203.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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