| CAS Number | 1228879-03-5 |
| Catalog Number | AG01A4NW |
| Chemical Name | 2,2,2-Trifluoro-1-(4-trifluoromethyl-phenyl)-ethylamine hydrochloride |
| IUPAC Name | 2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H7F6N.ClH/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15;/h1-4,7H,16H2;1H |
| InChI Key | XFJJZYCPEXYDHF-UHFFFAOYSA-N |
| MDL Number | MFCD16652261 |
| Molecular Formula | C9H8ClF6N |
| Molecular Weight | 279.6099 |
| SMILES | NC(C1=CC=C(C(F)(F)F)C=C1)C(F)(F)F.[H]Cl |
| Synonyms | 2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethan-1-amine hydrochloride,
1228879-03-5,
SCHEMBL4461161,
NE43181,
(S)-2,2,2-TRIFLUORO-1-(3-(TRIFLUOROMETHYL)PHENYL)ETHAN-1-AMINE HCL,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.61g/mol |
| Monoisotopic Mass | 279.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard statements
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H302-H315-H319-H335
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Precuationary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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Siginal words
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Certificate of Analysis
Lot Number