| CAS Number | 58868-93-2 |
| Catalog Number | AG00EEG7(AGN-PC-0WBMUO) |
| Chemical Name | α-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-3-methoxybenzenemethanol |
| IUPAC Name | 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol |
| InChI | InChI=1S/C13H21NO3/c1-13(2,3)14-8-11(16)9-5-6-10(15)12(7-9)17-4/h5-7,11,14-16H,8H2,1-4H3 |
| InChI Key | WVGNWNYBARIPKQ-UHFFFAOYSA-N |
| MDL Number | MFCD30720186 |
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.3107 |
| SMILES | OC1=CC=C(C(CNC(C)(C)C)O)C=C1OC |
| Synonyms | 3-O-Methyl Colterol,
58868-93-2,
N-tert-Butylmetarterenol,
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol,
SCHEMBL12210726,
DTXSID10729295,
FT-0671626,
(+/-)-[(tert-Butylamino)methyl]-3-methoxy-4-hydroxybenzyl | inverted exclamation marklcohol,
|A-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-3-methoxybenzenemethanol,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.315g/mol |
| Monoisotopic Mass | 239.152g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number