| CAS Number | 1955473-98-9 |
| Catalog Number | AG01B4VB |
| Chemical Name | 2-methoxyethyl (3S)-3-(aminomethyl)-5-methylhexanoate; trifluoroacetic acid |
| IUPAC Name | 2-methoxyethyl 3-(aminomethyl)-5-methylhexanoate;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C11H23NO3.C2HF3O2/c1-9(2)6-10(8-12)7-11(13)15-5-4-14-3;3-2(4,5)1(6)7/h9-10H,4-8,12H2,1-3H3;(H,6,7) |
| InChI Key | WROWPCABRKCURM-UHFFFAOYSA-N |
| MDL Number | MFCD29991804 |
| Molecular Formula | C13H24F3NO5 |
| Molecular Weight | 331.3286 |
| SMILES | COCCOC(C[C@H](CC(C)C)CN)=O.OC(C(F)(F)F)=O |
| Synonyms | 2-methoxyethyl (3S)-3-(aminomethyl)-5-methylhexanoate, trifluoroacetic acid,
1955473-98-9,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.161g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.332g/mol |
| Monoisotopic Mass | 331.161g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 98.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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