200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 80808-96-4
80808-96-4 | 1,5-DIMETHYL-3,7-DIAZABICYCLO[3.3.1]NONAN-9-ONE
CAS No: 80808-96-4 Catalog No: AG0051EN MDL No:MFCD01083139
Product Description
Catalog Number:
AG0051EN
Chemical Name:
1,5-DIMETHYL-3,7-DIAZABICYCLO[3.3.1]NONAN-9-ONE
CAS Number:
80808-96-4
Molecular Formula:
C9H16N2O
Molecular Weight:
168.2361
MDL Number:
MFCD01083139
IUPAC Name:
1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
InChI:
InChI=1S/C9H16N2O/c1-8-3-10-5-9(2,7(8)12)6-11-4-8/h10-11H,3-6H2,1-2H3
InChI Key:
VAXDAORNOMZREO-UHFFFAOYSA-N
SMILES:
O=C1C2(C)CNCC1(C)CNC2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.24g/mol
Monoisotopic Mass:
168.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.