| CAS Number | 1193387-99-3 |
| Catalog Number | AG019W88 |
| Chemical Name | 1-(3,4-Dichlorophenyl)-3,3,3-trifluoropropan-1-amine hydrochloride |
| IUPAC Name | 1-(3,4-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride |
| InChI | InChI=1S/C9H8Cl2F3N.ClH/c10-6-2-1-5(3-7(6)11)8(15)4-9(12,13)14;/h1-3,8H,4,15H2;1H |
| InChI Key | GBCAOJSEEWOAEW-UHFFFAOYSA-N |
| MDL Number | MFCD12912909 |
| Molecular Formula | C9H9Cl3F3N |
| Molecular Weight | 294.5287 |
| SMILES | Cl.NC(C1=CC(Cl)=C(Cl)C=C1)CC(F)(F)F |
| Synonyms | 1-(3,4-dichlorophenyl)-3,3,3-trifluoropropan-1-amine hydrochloride,
1193387-99-3,
AC1Q3CUN,
CTK7D4389,
NE61196,
EN300-51013,
Z1679664241,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.523g/mol |
| Monoisotopic Mass | 292.975g/mol |
| Rotatable Bond Count | 2 |
| 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