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148245-18-5 | Piperazine, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS No: 148245-18-5 Catalog No: AG001FJD MDL No:
Product Description
Catalog Number:
AG001FJD
Chemical Name:
Piperazine, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-
CAS Number:
148245-18-5
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine
InChI:
InChI=1S/C12H16N2O2/c1-2-11-12(16-8-7-15-11)9-10(1)14-5-3-13-4-6-14/h1-2,9,13H,3-8H2
InChI Key:
FBKOLJGPLNOPEN-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1ccc2c(c1)OCCO2
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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