| CAS Number | 923233-19-6 |
| Catalog Number | AG019Y8Q(AGN-PC-0WO39D) |
| Chemical Name | 1-{[1-(difluoromethyl)-1H-imidazol-2-yl]methyl}piperazine |
| IUPAC Name | 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine |
| InChI | InChI=1S/C9H14F2N4/c10-9(11)15-6-3-13-8(15)7-14-4-1-12-2-5-14/h3,6,9,12H,1-2,4-5,7H2 |
| InChI Key | UOACRLZMVQSRRB-UHFFFAOYSA-N |
| MDL Number | MFCD08444279 |
| Molecular Formula | C9H14F2N4 |
| Molecular Weight | 216.2311 |
| SMILES | FC(N1C(CN2CCNCC2)=NC=C1)F |
| Synonyms | 1-{[1-(difluoromethyl)-1H-imidazol-2-yl]methyl}piperazine,
923233-19-6,
ZINC20268610,
AKOS009096501,
MCULE-9237108284,
NE34666,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.236g/mol |
| Monoisotopic Mass | 216.119g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number