| CAS Number | 1956306-26-5 |
| Catalog Number | AG01DTWK(AGN-PC-3H4HFI) |
| Chemical Name | 2-(Butyl(methyl)amino)-2-phenylacetic acid hydrochloride |
| IUPAC Name | 2-[butyl(methyl)amino]-2-phenylacetic acid;hydrochloride |
| InChI | InChI=1S/C13H19NO2.ClH/c1-3-4-10-14(2)12(13(15)16)11-8-6-5-7-9-11;/h5-9,12H,3-4,10H2,1-2H3,(H,15,16);1H |
| InChI Key | UXVYSCRINJZQQE-UHFFFAOYSA-N |
| MDL Number | MFCD28991763 |
| Molecular Formula | C13H20ClNO2 |
| Molecular Weight | 257.7564 |
| SMILES | CCCCN(C(c1ccccc1)C(=O)O)C.Cl |
| Synonyms | 1956306-26-5,
2-(Butyl(methyl)amino)-2-phenylacetic acid hydrochloride,
2-[BUTYL(METHYL)AMINO]-2-PHENYLACETIC ACID HCL,
MFCD28991763,
AKOS027256341,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.758g/mol |
| Monoisotopic Mass | 257.118g/mol |
| Rotatable Bond Count | 6 |
| 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