Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt)
TL;DR: Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt) (CAS 72156-33-3) is a chemical compound with molecular formula C14H23NO3 and molecular weight 253.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetic acid;2-(tert-butylamino)-1-phenylethanol
Also Known As: CRL 40610A, 2-t-Butylamino-1-phenylethanol acetate, 2-Tertiobutylamino-1-phenyl-1-ethanol acetate, 2-Tertiobutylamino-1-phenyl-1-ethanol acetate [French], acetic acid,2-(tert-butylamino)-1-phenylethanol
| Molecular Formula | C14H23NO3 |
|---|---|
| Molecular Weight | 253.17 g/mol |
| LogP | 2.199 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.1678 |
| Heavy Atoms | 18 |
| Complexity | 339.8068 |
Chemical Identifiers
| CAS Number | 72156-33-3 |
|---|---|
| SMILES | CC(=O)O.CC(C)(C)NCC(C1=CC=CC=C1)O |
Product Overview
Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt) (CAS 72156-33-3), with molecular formula C14H23NO3 and molecular weight 253.17 g/mol. IUPAC: acetic acid;2-(tert-butylamino)-1-phenylethanol.
Chemical Property Profile of Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt)
Property Insights of Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt)
The XLogP value of 2.199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt). The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt). Following Lipinski's Rule of Five, Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt) 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 Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt)?
The CAS number of Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt) is 72156-33-3.
What is the molecular formula of Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt)?
The molecular formula of Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt) is C14H23NO3.
What is the molecular weight of Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt)?
The molecular weight of Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt) is 253.17 g/mol.
Where can I buy Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt)?
You can request a quote for Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-, acetate (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.