| CAS Number | 41489-89-8 |
| Catalog Number | AG00C92Q(AGN-PC-02V3L9) |
| Chemical Name | 2-(tert-Butylamino)-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethanone hydrochloride |
| IUPAC Name | 2-(tert-butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone;hydrochloride |
| InChI | InChI=1S/C13H19NO3.ClH/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;/h4-6,14-16H,7-8H2,1-3H3;1H |
| InChI Key | OFWSQQUAGFEQOV-UHFFFAOYSA-N |
| MDL Number | MFCD18379623 |
| Molecular Formula | C13H20ClNO3 |
| Molecular Weight | 273.7558 |
| SMILES | Cl.CC(C)(C)NCC(=O)c1ccc(O)c(CO)c1 |
| Synonyms | Salbutamon Hydrochloride,
41489-89-8,
Salbutamone Hydrochloride,
SCHEMBL11289732,
CTK8G3040,
DTXSID30608457,
AKOS030255563,
ACM41489898,
FT-0674500,
2-(tert-butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone;hydrochloride,
2-[(1,1-Dimethylethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone Hydrochloride,
2-(tert-Butylamino)-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethan-1-one--hydrogen chloride (1/1),
2-[(1,1-Dimethylethyl)amino]-1-[4-hydroxy-3-(hydroxymethyl)phenyl]ethanone Hydrochloride (Salbutamone Hydrochloride),
Salbutamon,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.757g/mol |
| Monoisotopic Mass | 273.113g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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