| CAS Number | 1803597-05-8 |
| Catalog Number | AG01AM2Q |
| Chemical Name | 5-aminopentan-2-one; trifluoroacetic acid |
| IUPAC Name | 5-aminopentan-2-one;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C5H11NO.C2HF3O2/c1-5(7)3-2-4-6;3-2(4,5)1(6)7/h2-4,6H2,1H3;(H,6,7) |
| InChI Key | NFCPMCYJTBCULO-UHFFFAOYSA-N |
| MDL Number | MFCD28968343 |
| Molecular Formula | C7H12F3NO3 |
| Molecular Weight | 215.1703 |
| SMILES | CC(CCCN)=O.OC(C(F)(F)F)=O |
| Synonyms | 1803597-05-8,
5-Aminopentan-2-one 2,2,2-trifluoroacetate,
5-aminopentan-2-one, trifluoroacetic acid,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.172g/mol |
| Monoisotopic Mass | 215.077g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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