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Home > Other Heterocycles > 1050886-77-5
1050886-77-5 | 3-benzyl-3,9-diazabicyclo[3.3.2]decan-10-one
CAS No: 1050886-77-5 Catalog No: AG019QPH MDL No:MFCD13806415
Product Description
Catalog Number:
AG019QPH
Chemical Name:
3-benzyl-3,9-diazabicyclo[3.3.2]decan-10-one
CAS Number:
1050886-77-5
Molecular Formula:
C15H20N2O
Molecular Weight:
244.3321
MDL Number:
MFCD13806415
IUPAC Name:
3-benzyl-3,9-diazabicyclo[3.3.2]decan-10-one
InChI:
InChI=1S/C15H20N2O/c18-15-13-7-4-8-14(16-15)11-17(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,16,18)
InChI Key:
VMKDZMUGUPYJOO-UHFFFAOYSA-N
SMILES:
O=C1NC2CCCC1CN(C2)Cc1ccccc1
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.338g/mol
Monoisotopic Mass:
244.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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