| CAS Number | 1171667-89-2 |
| Catalog Number | AG019LGG |
| Chemical Name | methyl 3-amino-3-(2-chlorophenyl)propanoate hydrochloride |
| IUPAC Name | methyl 3-amino-3-(2-chlorophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11;/h2-5,9H,6,12H2,1H3;1H |
| InChI Key | LPBJVSCNUUOIGM-UHFFFAOYSA-N |
| MDL Number | MFCD09971415 |
| Molecular Formula | C10H13Cl2NO2 |
| Molecular Weight | 250.1217 |
| SMILES | Cl.COC(CC(C1=C(Cl)C=CC=C1)N)=O |
| Synonyms | methyl 3-amino-3-(2-chlorophenyl)propanoate hydrochloride,
1171667-89-2,
METHYL 3-(P-CHLOROPHENYL)-BETA-ALANINATE HCL,
124082-19-5,
AC1Q3BX9,
CTK6J1786,
NE51872,
RT-013791,
EN300-31181,
Methyl beta-amino-2-chlorobenzenepropanate HCl,
METHYL3-AMINO-3-(2-CHLOROPHENYL)PROPANOATE HCL,
methyl b-amino-2-chlorobenzenepropanate hcl,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.119g/mol |
| Monoisotopic Mass | 249.032g/mol |
| Rotatable Bond Count | 4 |
| 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