| CAS Number | 2222662-58-8 |
| Catalog Number | AG01DU7I |
| Chemical Name | (S)-2,2,2-Trifluoro-1-(naphthalen-1-yl)ethanamine hydrochloride |
| IUPAC Name | (1S)-2,2,2-trifluoro-1-naphthalen-1-ylethanamine;hydrochloride |
| InChI | InChI=1S/C12H10F3N.ClH/c13-12(14,15)11(16)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7,11H,16H2;1H/t11-;/m0./s1 |
| InChI Key | OUTCIXNNERQAAI-MERQFXBCSA-N |
| MDL Number | MFCD12757432 |
| Molecular Formula | C12H11ClF3N |
| Molecular Weight | 261.6706 |
| SMILES | FC(F)(F)[C@@H](N)C1=C2C=CC=CC2=CC=C1.[H]Cl |
| Synonyms | (S)-2,2,2-Trifluoro-1-(naphthalen-1-yl)ethanamine hydrochloride,
2222662-58-8,
1213116-97-2,
(S)-2,2,2-TRIFLUORO-1-(NAPHTHALEN-1-YL)ETHANAMINE,
(S)-2,2,2-Trifluoro-1-(naphthalen-1-yl)ethanamine HCl,
KS-00000TPV,
KS-000026FX,
AKOS030632746,
GS-7347,
(1S)-2,2,2-trifluoro-1-(naphthalen-1-yl)ethan-1-amine hydrochloride,
N/A,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.053211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.67g/mol |
| Monoisotopic Mass | 261.053211g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number