| CAS Number | 1258652-04-8 |
| Catalog Number | AG01AAY4 |
| Chemical Name | 4-(3,4-difluorophenyl)butan-2-amine hydrochloride |
| IUPAC Name | 4-(3,4-difluorophenyl)butan-2-amine;hydrochloride |
| InChI | InChI=1S/C10H13F2N.ClH/c1-7(13)2-3-8-4-5-9(11)10(12)6-8;/h4-7H,2-3,13H2,1H3;1H |
| InChI Key | LBAGZASJLNIHPI-UHFFFAOYSA-N |
| MDL Number | MFCD17976992 |
| Molecular Formula | C10H14ClF2N |
| Molecular Weight | 221.6747 |
| SMILES | Cl.CC(CCC1=CC(F)=C(F)C=C1)N |
| Synonyms | 4-(3,4-difluorophenyl)butan-2-amine hydrochloride,
1258652-04-8,
AC1Q398X,
MCULE-4435335266,
NE50112,
EN300-69892,
Z1263820463,
|
| Complexity | 152 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number