| CAS Number | 1817793-27-3 |
| Catalog Number | AG01CAEM |
| Chemical Name | 2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)aniline |
| IUPAC Name | 2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)aniline |
| InChI | InChI=1S/C12H17F2N3O/c1-16-4-6-17(7-5-16)9-2-3-10(15)11(8-9)18-12(13)14/h2-3,8,12H,4-7,15H2,1H3 |
| InChI Key | KNAXUMBCKMZXGP-UHFFFAOYSA-N |
| MDL Number | MFCD30830170 |
| Molecular Formula | C12H17F2N3O |
| Molecular Weight | 257.2797 |
| SMILES | FC(OC1=C(N)C=CC(=C1)N1CCN(CC1)C)F |
| Synonyms | 1817793-27-3,
2-(difluoromethoxy)-4-(4-methylpiperazin-1-yl)aniline,
SCHEMBL18154931,
A1-06235,
Benzenamine, 2-(difluoromethoxy)-4-(4-methyl-1-piperazinyl)-,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.285g/mol |
| Monoisotopic Mass | 257.134g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number