| CAS Number | 502842-10-6 |
| Catalog Number | AG00D842(AGN-PC-0WOILI) |
| Chemical Name | Ethyl 3-amino-3-(2-methylphenyl)propanoate oxalate |
| IUPAC Name | ethyl 3-amino-3-(2-methylphenyl)propanoate;oxalic acid |
| InChI | InChI=1S/C12H17NO2.C2H2O4/c1-3-15-12(14)8-11(13)10-7-5-4-6-9(10)2;3-1(4)2(5)6/h4-7,11H,3,8,13H2,1-2H3;(H,3,4)(H,5,6) |
| InChI Key | TZAPJRFLLVSPLK-UHFFFAOYSA-N |
| MDL Number | MFCD02663259 |
| Molecular Formula | C14H19NO6 |
| Molecular Weight | 297.3038 |
| SMILES | OC(=O)C(=O)O.CCOC(=O)CC(c1ccccc1C)N |
| Synonyms | ethyl 3-amino-3-(2-methylphenyl)propanoate oxalate,
502842-10-6,
Ethyl 3-amino-3-(o-tolyl)propanoate oxalate,
C12H17NO2.C2H2O4,
BAE-0028,
ZX-BK000094,
MFCD02663259,
MFCD03839215,
AKOS001475883,
H9012,
Y2921,
Ethyl 3-amino-3-(2-methylphenyl)propanoate (C2H2O4),
Ethyl3-amino-3-(2-methylphenyl)propanoateoxalate,
ETHYL 3-AMINO-(2-METHYLPHENYL)PROPANOATE OXALATE,
21464-57-3,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.307g/mol |
| Monoisotopic Mass | 297.121g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number