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Home > Other Heterocycles > 653600-87-4
653600-87-4 | 3,9-Diazabicyclo[4.2.1]nonane, 3-(1-oxopropyl)-9-(phenylmethyl)-
CAS No: 653600-87-4 Catalog No: AG006S1Q MDL No:
Product Description
Catalog Number:
AG006S1Q
Chemical Name:
3,9-Diazabicyclo[4.2.1]nonane, 3-(1-oxopropyl)-9-(phenylmethyl)-
CAS Number:
653600-87-4
Molecular Formula:
C17H24N2O
Molecular Weight:
272.3853
IUPAC Name:
1-(9-benzyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
InChI:
InChI=1S/C17H24N2O/c1-2-17(20)18-11-10-15-8-9-16(13-18)19(15)12-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3
InChI Key:
NZDJLVMDXSFVPJ-UHFFFAOYSA-N
SMILES:
CCC(=O)N1CCC2N(C(C1)CC2)Cc1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.189g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.392g/mol
Monoisotopic Mass:
272.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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