| CAS Number | 880347-63-7 |
| Catalog Number | AG01B17U(AGN-PC-0VIGMI) |
| Chemical Name | 2-[4-(trifluoromethyl)phenyl]propan-1-amine hydrochloride |
| IUPAC Name | 2-[4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C10H12F3N.ClH/c1-7(6-14)8-2-4-9(5-3-8)10(11,12)13;/h2-5,7H,6,14H2,1H3;1H |
| InChI Key | RJWADBDKUXCYNL-UHFFFAOYSA-N |
| MDL Number | MFCD27959494 |
| Molecular Formula | C10H13ClF3N |
| Molecular Weight | 239.6651 |
| SMILES | Cl.CC(C1=CC=C(C(F)(F)F)C=C1)CN |
| Synonyms | 2-[4-(trifluoromethyl)phenyl]propan-1-amine hydrochloride,
880347-63-7,
AKOS027377031,
MCULE-3236560175,
Z1795818286,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.666g/mol |
| Monoisotopic Mass | 239.069g/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