| CAS Number | 1049758-08-8 |
| Catalog Number | AG019PBX |
| Chemical Name | propan-2-yl 3-amino-3-(2-chlorophenyl)propanoate hydrochloride |
| IUPAC Name | propan-2-yl 3-amino-3-(2-chlorophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C12H16ClNO2.ClH/c1-8(2)16-12(15)7-11(14)9-5-3-4-6-10(9)13;/h3-6,8,11H,7,14H2,1-2H3;1H |
| InChI Key | FAPLQXHEOWZNOQ-UHFFFAOYSA-N |
| MDL Number | MFCD07841705 |
| Molecular Formula | C12H17Cl2NO2 |
| Molecular Weight | 278.1749 |
| SMILES | Cl.CC(OC(CC(C1=C(Cl)C=CC=C1)N)=O)C |
| Synonyms | propan-2-yl 3-amino-3-(2-chlorophenyl)propanoate hydrochloride,
1049758-08-8,
isopropyl 3-amino-3-(2-chlorophenyl)propanoate hydrochloride,
CTK6B0578,
AC1Q3950,
AKOS033518583,
MCULE-1853191180,
NE58036,
EN300-23153,
Z166630956,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.173g/mol |
| Monoisotopic Mass | 277.064g/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