| CAS Number | 1311317-03-9 |
| Catalog Number | AG01AHAA |
| Chemical Name | 2-{[(4-chlorophenyl)methyl](ethyl)amino}acetic acid hydrochloride |
| IUPAC Name | 2-[(4-chlorophenyl)methyl-ethylamino]acetic acid;hydrochloride |
| InChI | InChI=1S/C11H14ClNO2.ClH/c1-2-13(8-11(14)15)7-9-3-5-10(12)6-4-9;/h3-6H,2,7-8H2,1H3,(H,14,15);1H |
| InChI Key | XJKYCOKACZDKPH-UHFFFAOYSA-N |
| MDL Number | MFCD18483262 |
| Molecular Formula | C11H15Cl2NO2 |
| Molecular Weight | 264.1483 |
| SMILES | Cl.CCN(CC1=CC=C(Cl)C=C1)CC(O)=O |
| Synonyms | 2-{[(4-chlorophenyl)methyl](ethyl)amino}acetic acid hydrochloride,
1311317-03-9,
AKOS008144198,
MCULE-4988398436,
NE54584,
EN300-74163,
Z1259335829,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.146g/mol |
| Monoisotopic Mass | 263.048g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number