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63074-07-7 | 1-(Tetrahydro-2-furoyl)piperazine
CAS No: 63074-07-7 Catalog No: AG0035HP MDL No:MFCD00190247
Product Description
Catalog Number:
AG0035HP
Chemical Name:
1-(Tetrahydro-2-furoyl)piperazine
CAS Number:
63074-07-7
Molecular Formula:
C9H16N2O2
Molecular Weight:
184.2355
MDL Number:
MFCD00190247
IUPAC Name:
oxolan-2-yl(piperazin-1-yl)methanone
InChI:
InChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2
InChI Key:
UKESBLFBQANJHH-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCC1)C1CCCO1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.239g/mol
Monoisotopic Mass:
184.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
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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