| CAS Number | 1375471-93-4 |
| Catalog Number | AG019TGI |
| Chemical Name | ETHYL 3-AMINO-3-(2-METHYLPHENYL)PROPANOATE HYDROCHLORIDE |
| IUPAC Name | ethyl 3-amino-3-(2-methylphenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C12H17NO2.ClH/c1-3-15-12(14)8-11(13)10-7-5-4-6-9(10)2;/h4-7,11H,3,8,13H2,1-2H3;1H |
| InChI Key | NGZIASODXNEIKO-UHFFFAOYSA-N |
| MDL Number | MFCD21602621 |
| Molecular Formula | C12H18ClNO2 |
| Molecular Weight | 243.7298 |
| SMILES | Cl.CCOC(CC(C1=C(C)C=CC=C1)N)=O |
| Synonyms | ethyl 3-amino-3-(2-methylphenyl)propanoate hydrochloride,
1375471-93-4,
Ethyl 3-amino-3-(2-tolyl)propanoate hydrochloride,
21464-57-3,
MCULE-6689802552,
NE22405,
(S)-Ethyl 3-amino-3-(o-tolyl)propanoate hydrochloride,
Z1318357715,
1318789-62-6,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.731g/mol |
| Monoisotopic Mass | 243.103g/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