| CAS Number | 502841-92-1 |
| Catalog Number | AG00I900(AGN-PC-0WR087) |
| Chemical Name | Ethyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride |
| IUPAC Name | ethyl 3-amino-3-(4-bromophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C11H14BrNO2.ClH/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3;1H |
| InChI Key | XHINNSPOAIKUHT-UHFFFAOYSA-N |
| MDL Number | MFCD02663241 |
| Molecular Formula | C11H15BrClNO2 |
| Molecular Weight | 308.5993 |
| SMILES | Cl.CCOC(CC(C1=CC=C(Br)C=C1)N)=O |
| Synonyms | ethyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride,
502841-92-1,
Ethyl 3-amino-3-(4-bromophenyl)propanoate, HCl,
1354940-98-9,
AC1Q39XI,
MFCD02663241,
AKOS001475877,
MCULE-2203554511,
EN300-66102,
K-9306,
Ethyl 3-amino-3-(4-bromophenyl)propanoate (HCl),
Z1262398469,
ethyl (3R)-3-amino-3-(4-bromophenyl)propanoate hydrochloride,
ethyl (3S)-3-amino-3-(4-bromophenyl)propanoate hydrochloride,
1354940-97-8,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.6g/mol |
| Monoisotopic Mass | 306.997g/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