| CAS Number | 1909309-14-3 |
| Catalog Number | AG01C3DP |
| Chemical Name | Methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate hydrochloride |
| IUPAC Name | methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate;hydrochloride |
| InChI | InChI=1S/C11H12F3NO2.ClH/c1-17-11(16)4-7(15)2-6-3-9(13)10(14)5-8(6)12;/h3,5,7H,2,4,15H2,1H3;1H |
| InChI Key | HZHUQANPVYGJKF-UHFFFAOYSA-N |
| MDL Number | MFCD29060414 |
| Molecular Formula | C11H13ClF3NO2 |
| Molecular Weight | 283.6746 |
| SMILES | Cl.COC(CC(CC1=C(F)C=C(F)C(F)=C1)N)=O |
| Synonyms | 1909309-14-3,
methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate hydrochloride,
1374985-05-3,
(R)-Methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate hydrochloride,
(S)-Methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate hydrochloride,
1253056-12-0,
SY209778,
MFCD29060414 (95%),
methyl (3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoate;hydrochloride,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.675g/mol |
| Monoisotopic Mass | 283.059g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number