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Home > Other Heterocycles > 897396-21-3
897396-21-3 | 10-benzyl-3,10-diazabicyclo[4.3.1]decan-4-one
CAS No: 897396-21-3 Catalog No: AG019R5N MDL No:MFCD13196448
Product Description
Catalog Number:
AG019R5N
Chemical Name:
10-benzyl-3,10-diazabicyclo[4.3.1]decan-4-one
CAS Number:
897396-21-3
Molecular Formula:
C15H20N2O
Molecular Weight:
244.3321
MDL Number:
MFCD13196448
IUPAC Name:
10-benzyl-3,10-diazabicyclo[4.3.1]decan-4-one
InChI:
InChI=1S/C15H20N2O/c18-15-9-13-7-4-8-14(10-16-15)17(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2,(H,16,18)
InChI Key:
FLAQNBAVKBCRBH-UHFFFAOYSA-N
SMILES:
O=C1NCC2N(C(C1)CCC2)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:
1.8
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