| CAS Number | 1213116-97-2 |
| Catalog Number | AG009AZ3(AGN-PC-0WB00Q) |
| Chemical Name | (S)-2,2,2-trifluoro-1-(naphthalen-1-yl)ethanamine |
| IUPAC Name | (1S)-2,2,2-trifluoro-1-naphthalen-1-ylethanamine |
| InChI | InChI=1S/C12H10F3N/c13-12(14,15)11(16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H,16H2/t11-/m0/s1 |
| InChI Key | OOXZTNKNQVNTBV-NSHDSACASA-N |
| MDL Number | MFCD00063488 |
| Molecular Formula | C12H10F3N |
| Molecular Weight | 225.2097 |
| SMILES | Cl.FC(F)(F)C(N)C=1(C2(=C(C=CC=1)C=CC=C2)) |
| Synonyms | (1S)-2,2,2-TRIFLUORO-1-NAPHTHYLETHYLAMINE,
1213116-97-2,
MFCD07374740,
ZINC72194953,
AKOS015925380,
AB40289,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.214g/mol |
| Monoisotopic Mass | 225.077g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number