| CAS Number | 502841-88-5 |
| Catalog Number | AG00I8ZX(AGN-PC-0WR09M) |
| Chemical Name | Ethyl 3-amino-3-(4-ethylphenyl)propanoate hydrochloride |
| IUPAC Name | ethyl 3-amino-3-(4-ethylphenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C13H19NO2.ClH/c1-3-10-5-7-11(8-6-10)12(14)9-13(15)16-4-2;/h5-8,12H,3-4,9,14H2,1-2H3;1H |
| InChI Key | BGDHHQJLCZDXAJ-UHFFFAOYSA-N |
| MDL Number | MFCD02663237 |
| Molecular Formula | C13H20ClNO2 |
| Molecular Weight | 257.7564 |
| SMILES | Cl.CCOC(CC(C1=CC=C(CC)C=C1)N)=O |
| Synonyms | ETHYL 3-AMINO-3-(4-ETHYLPHENYL)PROPANOATE HYDROCHLORIDE,
502841-88-5,
BAE-0003,
ZX-BK000078,
AKOS001476976,
K-9304,
Ethyl 3-amino-3-(4-ethylphenyl)propanoate, HCl,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.758g/mol |
| Monoisotopic Mass | 257.118g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number