| CAS Number | 1131737-03-5 |
| Catalog Number | AG0095CG(AGN-PC-0WD7SN) |
| Chemical Name | (αS)-α-(Trifluoromethyl)cyclopropanemethanamine |
| IUPAC Name | (1S)-1-cyclopropyl-2,2,2-trifluoroethanamine |
| InChI | InChI=1S/C5H8F3N/c6-5(7,8)4(9)3-1-2-3/h3-4H,1-2,9H2/t4-/m0/s1 |
| InChI Key | DMWCDCMZMZULIE-BYPYZUCNSA-N |
| MDL Number | MFCD18690092 |
| Molecular Formula | C5H8F3N |
| Molecular Weight | 139.1189 |
| SMILES | N[C@H](C(F)(F)F)C1CC1 |
| Synonyms | (1S)-1-Cyclopropyl-2,2,2-trifluoroethylamine,
1131737-03-5,
(1S)-1-cyclopropyl-2,2,2-trifluoroethan-1-amine,
1131737-04-6,
(S)-1-Cyclopropyl-2,2,2-trifluoroethanamine,
SCHEMBL6930585,
ZINC72232967,
AKOS006368511,
SB14036,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.121g/mol |
| Monoisotopic Mass | 139.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number