| CAS Number | 670-03-1 |
| Catalog Number | AG01A5BL |
| Chemical Name | 1-[2-(trifluoromethyl)phenyl]propan-2-amine hydrochloride |
| IUPAC Name | 1-[2-(trifluoromethyl)phenyl]propan-2-amine;hydrochloride |
| InChI | InChI=1S/C10H12F3N.ClH/c1-7(14)6-8-4-2-3-5-9(8)10(11,12)13;/h2-5,7H,6,14H2,1H3;1H |
| InChI Key | KPOZDUNORUASKE-UHFFFAOYSA-N |
| MDL Number | MFCD24842860 |
| Molecular Formula | C10H13ClF3N |
| Molecular Weight | 239.6651 |
| SMILES | Cl.CC(CC1=C(C(F)(F)F)C=CC=C1)N |
| Synonyms | 1-[2-(trifluoromethyl)phenyl]propan-2-amine hydrochloride,
670-03-1,
UNII-PCR5HM9ZV3,
PCR5HM9ZV3,
NE27111,
1-(2-(Trifluoromethyl)phenyl)-2-aminopropane hydrochloride,
Benzeneethanamine, alpha-methyl-2-(trifluoromethyl)-, hydrochloride,
Phenethylamine, alpha-methyl-o-(trifluoromethyl)-, hydrochloride,
Benzeneethanamine, alpha-methyl-2-(trifluoromethyl)-, hydrochloride (1:1),
|
| Complexity | 179 |
| 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
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