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Home > Other Heterocycles > 138913-25-4
138913-25-4 | 3-Oxa-1,5-diazabicyclo[3.3.1]nonane (9CI)
CAS No: 138913-25-4 Catalog No: AG0019U7 MDL No:
Product Description
Catalog Number:
AG0019U7
Chemical Name:
3-Oxa-1,5-diazabicyclo[3.3.1]nonane (9CI)
CAS Number:
138913-25-4
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
IUPAC Name:
3-oxa-1,5-diazabicyclo[3.3.1]nonane
InChI:
InChI=1S/C6H12N2O/c1-2-7-4-8(3-1)6-9-5-7/h1-6H2
InChI Key:
YYHMMSAKRPTTLI-UHFFFAOYSA-N
SMILES:
C1CN2COCN(C1)C2
Properties
Complexity:
97.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.175g/mol
Monoisotopic Mass:
128.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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