| CAS Number | 1157479-33-8 |
| Catalog Number | AG01AAJ1 |
| Chemical Name | 2-(4-Chlorophenyl)-2-(dimethylamino)propanoic acid |
| IUPAC Name | 2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid |
| InChI | InChI=1S/C11H14ClNO2/c1-11(10(14)15,13(2)3)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,14,15) |
| InChI Key | CYKHMICFOPJKFO-UHFFFAOYSA-N |
| MDL Number | MFCD05230699 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | CN(C(C1=CC=C(Cl)C=C1)(C(O)=O)C)C |
| Synonyms | 2-(4-chlorophenyl)-2-(dimethylamino)propanoic acid,
1157479-33-8,
AC1Q3W2U,
AKOS009987803,
MCULE-1811362440,
NE57934,
EN300-68744,
Z1270387190,
2-(4-Chloro-phenyl)-2-dimethylamino-propionic acid,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.688g/mol |
| Monoisotopic Mass | 227.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number