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Home > Other Heterocycles > 161867-82-9
161867-82-9 | 3,9-Diazabicyclo[3.3.1]nonan-7-one, 3-ethyl-9-methyl-
CAS No: 161867-82-9 Catalog No: AG001VXB MDL No:
Product Description
Catalog Number:
AG001VXB
Chemical Name:
3,9-Diazabicyclo[3.3.1]nonan-7-one, 3-ethyl-9-methyl-
CAS Number:
161867-82-9
Molecular Formula:
C10H18N2O
Molecular Weight:
182.2627
IUPAC Name:
3-ethyl-9-methyl-3,9-diazabicyclo[3.3.1]nonan-6-one
InChI:
InChI=1S/C10H18N2O/c1-3-12-6-8-4-5-10(13)9(7-12)11(8)2/h8-9H,3-7H2,1-2H3
InChI Key:
QWZZXUMHELSRMZ-UHFFFAOYSA-N
SMILES:
CCN1CC2CC(=O)CC(C1)N2C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.142g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.267g/mol
Monoisotopic Mass:
182.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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