| CAS Number | 953743-83-4 |
| Catalog Number | AG019VZY(AGN-PC-0WO1LD) |
| Chemical Name | 1-(2,5-dimethylfuran-3-carbonyl)piperazine |
| IUPAC Name | (2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone |
| InChI | InChI=1S/C11H16N2O2/c1-8-7-10(9(2)15-8)11(14)13-5-3-12-4-6-13/h7,12H,3-6H2,1-2H3 |
| InChI Key | YQWMOQGTIGAWIU-UHFFFAOYSA-N |
| MDL Number | MFCD09732793 |
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.2569 |
| SMILES | CC1OC(C)=C(C(N2CCNCC2)=O)C=1 |
| Synonyms | 1-(2,5-dimethylfuran-3-carbonyl)piperazine,
953743-83-4,
1-[(2,5-dimethylfuran-3-yl)carbonyl]piperazine,
AC1Q2HOV,
CTK7F6111,
ZINC22175956,
AKOS000141047,
MCULE-6684230311,
NE33018,
EN300-50013,
Methanone, (2,5-dimethyl-3-furanyl)-1-piperazinyl,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.261g/mol |
| Monoisotopic Mass | 208.121g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number