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Home > Other Heterocycles > 1082489-98-2
1082489-98-2 | 3-(furan-2-ylmethyl)-3,7-diazabicyclo[3.3.1]nonane
CAS No: 1082489-98-2 Catalog No: AG01DJCN MDL No:
Product Description
Catalog Number:
AG01DJCN
Chemical Name:
3-(furan-2-ylmethyl)-3,7-diazabicyclo[3.3.1]nonane
CAS Number:
1082489-98-2
Molecular Formula:
C12H18N2O
Molecular Weight:
206.2841
IUPAC Name:
3-(furan-2-ylmethyl)-3,7-diazabicyclo[3.3.1]nonane
InChI:
InChI=1S/C12H18N2O/c1-2-12(15-3-1)9-14-7-10-4-11(8-14)6-13-5-10/h1-3,10-11,13H,4-9H2
InChI Key:
FESGHVXCMRTRJC-UHFFFAOYSA-N
SMILES:
N1CC2CN(CC(C1)C2)Cc1ccco1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.289g/mol
Monoisotopic Mass:
206.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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