α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol
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![α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d32a3dd1690545a180fdecdaa64424fa.png "α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol")
α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol
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CAS No:
24085-03-8
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Formula:
C20H27NO3
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Chemical Name:
α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol
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Synonyms:
1,3-Benzenedimethanol,α1-[[(1,1-dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-;m-Xylene-α,α′-diol,α1-[(benzyl-tert-butylamino)methyl]-4-hydroxy-;α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol;α1-Benzyl-tert-butylaminomethyl-4-hydroxy-m-xylene-α1,α3-diol
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CAS No:
Description
α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol is a white crystalline powder with a molecular weight of 329.44, a boiling point of 496.0±33.0 °C, a density of 1.162±0.06 g/cm3, and a melting point of 200 - 203 degrees Celsius. It is stable at room temperature and pressure.
α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol is a white crystalline powder with a molecular weight of 329.44, a boiling point of 496.0±33.0 °C, a density of 1.162±0.06 g/cm3, and a melting point of 200 - 203 degrees Celsius. It is stable at room temperature and pressure.
α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol Basic Attributes
329.43328
329.43
246-013-7
2922509090
Safety Information
P264, P270, P273, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol Use and Manufacturing
α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol is a custom synthesized, high-purity pharmaceutical product that is a short-acting, selective β2-adrenergic receptor agonist used to treat asthma and COPD. It is used in research and development, drug development, and as a pharmacopoeial or analytical standard. α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol has been found to be a metabolite of the drug product salbutamol sulfate. It is also used in metabolic studies and natural product research.
Computed Properties
Molecular Weight:329.4
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:329.19909372
Monoisotopic Mass:329.19909372
Topological Polar Surface Area:63.9
Heavy Atom Count:24
Complexity:362
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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α1-[[(1,1-Dimethylethyl)(phenylmethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol
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