alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol
TL;DR: alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol (CAS 96948-64-0) is a chemical compound with molecular formula C12H19NO2 and molecular weight 209.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(tert-butylamino)-1-hydroxyethyl]phenol
Also Known As: t-Butylnorsynephrine, tert-Butylnorsynephrine, Salbutamol EP Impurity B, BUCTOPAMINE, Salbutamol Impurity B
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 96948-64-0 |
|---|---|
| SMILES | CC(C)(C)NCC(C1=CC=C(C=C1)O)O |
| InChIKey | JOGFUYPGDLRKHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol (CAS 96948-64-0), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: 4-[2-(tert-butylamino)-1-hydroxyethyl]phenol.
Chemical Property Profile of alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol
Property Insights of alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol. With a topological polar surface area (TPSA) of 52.5 Ų, alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol has 3 hydrogen bond donor(s) and 3 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 alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol?
The CAS number of alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol is 96948-64-0.
What is the molecular formula of alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol?
The molecular formula of alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol is C12H19NO2.
What is the molecular weight of alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol?
The molecular weight of alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol is 209.14 g/mol.
Where can I buy alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol?
You can request a quote for alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-(((1,1-Dimethylethyl)amino)methyl)-4-hydroxybenzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.