| CAS Number | 1291351-81-9 |
| Catalog Number | AG01AGK9 |
| Chemical Name | 2-(3-chlorophenyl)-2-(dimethylamino)acetic acid hydrochloride |
| IUPAC Name | 2-(3-chlorophenyl)-2-(dimethylamino)acetic acid;hydrochloride |
| InChI | InChI=1S/C10H12ClNO2.ClH/c1-12(2)9(10(13)14)7-4-3-5-8(11)6-7;/h3-6,9H,1-2H3,(H,13,14);1H |
| InChI Key | WNDNOCYAFWOKHR-UHFFFAOYSA-N |
| MDL Number | MFCD18089456 |
| Molecular Formula | C10H13Cl2NO2 |
| Molecular Weight | 250.1217 |
| SMILES | Cl.CN(C(C1=CC(Cl)=CC=C1)C(O)=O)C |
| Synonyms | 2-(3-chlorophenyl)-2-(dimethylamino)acetic acid hydrochloride,
1291351-81-9,
AC1Q3BK2,
AKOS008139528,
MCULE-7583483935,
NE38889,
EN300-72095,
Z1222278657,
|
| Complexity | 208 |
| 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 | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number