| CAS Number | 2031268-79-6 |
| Catalog Number | AG01B7BT |
| Chemical Name | 4-(2,6-Difluorophenyl)butan-2-amine hydrochloride |
| IUPAC Name | 4-(2,6-difluorophenyl)butan-2-amine;hydrochloride |
| InChI | InChI=1S/C10H13F2N.ClH/c1-7(13)5-6-8-9(11)3-2-4-10(8)12;/h2-4,7H,5-6,13H2,1H3;1H |
| InChI Key | PEVOGNAMUJKUTR-UHFFFAOYSA-N |
| MDL Number | MFCD30345241 |
| Molecular Formula | C10H14ClF2N |
| Molecular Weight | 221.6747 |
| SMILES | CC(N)CCC1=C(F)C=CC=C1F.[H]Cl |
| Synonyms | 4-(2,6-difluorophenyl)butan-2-amine hydrochloride,
2031268-79-6,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.676g/mol |
| Monoisotopic Mass | 221.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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