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Home > Other Heterocycles > 85928-06-9
85928-06-9 | 3,7-Diazabicyclo[3.3.1]nonan-9-one, 3,7-dibutyl-
CAS No: 85928-06-9 Catalog No: AG004QM4 MDL No:MFCD10465550
Product Description
Catalog Number:
AG004QM4
Chemical Name:
3,7-Diazabicyclo[3.3.1]nonan-9-one, 3,7-dibutyl-
CAS Number:
85928-06-9
Molecular Formula:
C15H28N2O
Molecular Weight:
252.3956
MDL Number:
MFCD10465550
IUPAC Name:
3,7-dibutyl-3,7-diazabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C15H28N2O/c1-3-5-7-16-9-13-11-17(8-6-4-2)12-14(10-16)15(13)18/h13-14H,3-12H2,1-2H3
InChI Key:
JDZITGDSCMKQPR-UHFFFAOYSA-N
SMILES:
CCCCN1CC2CN(CC(C1)C2=O)CCCC
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.22g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.402g/mol
Monoisotopic Mass:
252.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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