| CAS Number | 1415257-78-1 |
| Catalog Number | AG009ZS7(AGN-PC-0WNGO2) |
| Chemical Name | (S)-1-(3-fluoro-4-(trifluoromethyl)phenyl)ethanamine hydrochloride |
| IUPAC Name | (1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride |
| InChI | InChI=1S/C9H9F4N.ClH/c1-5(14)6-2-3-7(8(10)4-6)9(11,12)13;/h2-5H,14H2,1H3;1H/t5-;/m0./s1 |
| InChI Key | NLBPCMJOACOYKH-JEDNCBNOSA-N |
| MDL Number | MFCD24432988 |
| Molecular Formula | C9H10ClF4N |
| Molecular Weight | 243.6290 |
| SMILES | C[C@H](N)C1=CC=C(C(F)(F)F)C(F)=C1.[H]Cl |
| Synonyms | (S)-1-(3-fluoro-4-(trifluoromethyl)phenyl)ethanamine hydrochloride,
1415257-78-1,
SCHEMBL14121536,
NLBPCMJOACOYKH-JEDNCBNOSA-N,
KS-00000U9W,
AKOS030633059,
DS-20108,
(1S)-1-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE HYDROCHLORIDE,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.63g/mol |
| Monoisotopic Mass | 243.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| 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