| CAS Number | 132183-64-3 |
| Catalog Number | AG009F0L(AGN-PC-0WH3IL) |
| Chemical Name | 4-tert-Butylaminoethyl-2-methylphenol |
| IUPAC Name | 4-[2-(tert-butylamino)ethyl]-2-methylphenol |
| InChI | InChI=1S/C13H21NO/c1-10-9-11(5-6-12(10)15)7-8-14-13(2,3)4/h5-6,9,14-15H,7-8H2,1-4H3 |
| InChI Key | NZVRVWRGZWEPRX-UHFFFAOYSA-N |
| MDL Number | MFCD27967110 |
| Molecular Formula | C13H21NO |
| Molecular Weight | 207.3119 |
| SMILES | Cc1cc(CCNC(C)(C)C)ccc1O |
| UNII | 66GW932C5J |
| Synonyms | 132183-64-3,
UNII-66GW932C5J,
4-(2-(tert-Butylamino)ethyl)-2-methylphenol,
4-tert-Butylaminoethyl-2-methylphenol,
66GW932C5J,
4-(2-((1,1-Dimethylethyl)amino)ethyl)-2-methylphenol,
Dehydroxy albuterol,
Dehydroxy salbutamol,
4-[2-(tert-butylamino)ethyl]-2-methylphenol,
4-[2-[(1,1-Dimethylethyl)amino]ethyl]-2-methylphenol,
Salbutamol impurity H [EP],
Salbutamol Impurity H,
SCHEMBL5429248,
DTXSID90157411,
Phenol, 4-(2-((1,1-dimethylethyl)amino)ethyl)-2-methyl-,
1-(4-Hydroxy-3-methylphenyl)-2-(tert-butylamino)ethane,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.317g/mol |
| Monoisotopic Mass | 207.162g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number