| CAS Number | 1956309-88-8 |
| Catalog Number | AG01DIO5 |
| Chemical Name | 2-(4-Chlorophenyl)-2-(diethylamino)acetic acid hydrochloride |
| IUPAC Name | 2-(4-chlorophenyl)-2-(diethylamino)acetic acid;hydrochloride |
| InChI | InChI=1S/C12H16ClNO2.ClH/c1-3-14(4-2)11(12(15)16)9-5-7-10(13)8-6-9;/h5-8,11H,3-4H2,1-2H3,(H,15,16);1H |
| InChI Key | LRIOTWNBSSOEML-UHFFFAOYSA-N |
| MDL Number | MFCD28991770 |
| Molecular Formula | C12H17Cl2NO2 |
| Molecular Weight | 278.1749 |
| SMILES | CCN(C(c1ccc(cc1)Cl)C(=O)O)CC.Cl |
| Synonyms | 1956309-88-8,
2-(4-Chlorophenyl)-2-(diethylamino)acetic acid hydrochloride,
(4-CHLOROPHENYL)(DIETHYLAMINO)ACETIC ACID HCL,
MFCD28991770,
|
| Complexity | 223 |
| 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 | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number