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22476-74-0 | 3,3-Dimethylpiperazin-2-one
CAS No: 22476-74-0 Catalog No: AG0038VH MDL No:MFCD01701783
Product Description
Catalog Number:
AG0038VH
Chemical Name:
3,3-Dimethylpiperazin-2-one
CAS Number:
22476-74-0
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
MDL Number:
MFCD01701783
IUPAC Name:
3,3-dimethylpiperazin-2-one
InChI:
InChI=1S/C6H12N2O/c1-6(2)5(9)7-3-4-8-6/h8H,3-4H2,1-2H3,(H,7,9)
InChI Key:
ZBFIRYWCOIYJDA-UHFFFAOYSA-N
SMILES:
O=C1NCCNC1(C)C
Properties
Complexity:
131
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:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.175g/mol
Monoisotopic Mass:
128.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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