| CAS Number | 1365937-57-0 |
| Catalog Number | AG01ETFE(AGN-PC-3H47FC) |
| Chemical Name | methyl[(2S)-1,1,1-trifluoropropan-2-yl]amine |
| IUPAC Name | (2S)-1,1,1-trifluoro-N-methylpropan-2-amine |
| InChI | InChI=1S/C4H8F3N/c1-3(8-2)4(5,6)7/h3,8H,1-2H3/t3-/m0/s1 |
| InChI Key | LXYLQDHKQINDEX-VKHMYHEASA-N |
| MDL Number | MFCD21602134 |
| Molecular Formula | C4H8F3N |
| Molecular Weight | 127.1082 |
| SMILES | CN[C@H](C(F)(F)F)C |
| Synonyms | (S)-N-Methyl-1,1,1-Trifluoro-2-propylamine,
1365937-57-0,
SCHEMBL4792153,
DTXSID90719194,
ZINC78678302,
FS-6271,
(2S)-1,1,1-Trifluoro-N-methylpropan-2-amine,
|
| Complexity | 68.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.11g/mol |
| Monoisotopic Mass | 127.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number