1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride
TL;DR: 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride (CAS 34715-64-5) is a chemical compound with molecular formula C12H18ClNO3 and molecular weight 259.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethanone;hydrochloride
Also Known As: EINECS 252-166-0, 1-2-[amino]ethan-1-onehydrochloride, 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride, 1- -2-[ amino]ethan-1-onehydrochloride, 3,4-dihydroxyphenyl N-(tert-butyl)aminomethyl ketone hydrochloride
| Molecular Formula | C12H18ClNO3 |
|---|---|
| Molecular Weight | 259.10 g/mol |
| LogP | 2.0904 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.09753 |
| Heavy Atoms | 17 |
| Complexity | 399.22748 |
Chemical Identifiers
| CAS Number | 34715-64-5 |
|---|---|
| SMILES | CC(C)(C)NCC(=O)C1=CC(=C(C=C1)O)O.Cl |
Product Overview
1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride (CAS 34715-64-5), with molecular formula C12H18ClNO3 and molecular weight 259.10 g/mol. IUPAC: 2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethanone;hydrochloride.
Chemical Property Profile of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride
Property Insights of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride
The XLogP value of 2.0904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride. Following Lipinski's Rule of Five, 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride?
The CAS number of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride is 34715-64-5.
What is the molecular formula of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride?
The molecular formula of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride is C12H18ClNO3.
What is the molecular weight of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride?
The molecular weight of 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride is 259.10 g/mol.
Where can I buy 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride?
You can request a quote for 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dihydroxyphenyl)-2-((1,1-dimethylethyl)amino)ethan-1-one hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.