| CAS Number | 1909305-45-8 |
| Catalog Number | AG01B2B4 |
| Chemical Name | 2-(4-methoxyphenyl)-2-[(propan-2-yl)amino]acetic acid hydrochloride |
| IUPAC Name | 2-(4-methoxyphenyl)-2-(propan-2-ylamino)acetic acid;hydrochloride |
| InChI | InChI=1S/C12H17NO3.ClH/c1-8(2)13-11(12(14)15)9-4-6-10(16-3)7-5-9;/h4-8,11,13H,1-3H3,(H,14,15);1H |
| InChI Key | LHUWGPDEZGZWRS-UHFFFAOYSA-N |
| MDL Number | MFCD29907368 |
| Molecular Formula | C12H18ClNO3 |
| Molecular Weight | 259.7292 |
| SMILES | Cl.COC1=CC=C(C(C(O)=O)NC(C)C)C=C1 |
| Synonyms | 2-(4-methoxyphenyl)-2-[(propan-2-yl)amino]acetic acid hydrochloride,
1909305-45-8,
AKOS030758009,
Z2472860030,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.73g/mol |
| Monoisotopic Mass | 259.098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number