Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride
TL;DR: Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride (CAS 56795-20-1) is a chemical compound with molecular formula C12H20ClFN2O and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-amino-3-fluorophenyl)-2-hydroxyethyl]-tert-butylazanium chloride
Also Known As: 4-Amino-alpha-((tert-butylamino)methyl)-3-fluorobenzyl alcohol hydrochloride, [2-(4-amino-3-fluorophenyl)-2-hydroxyethyl]-tert-butylazanium chloride, BENZYL ALCOHOL, 4-AMINO-alpha-((tert-BUTYLAMINO)METHYL)-3-FLUORO-, HYDROCHLORIDE, Benzenemethanol, 4-amino-alpha-(((1,1-dimethylethyl)amino)methyl)-3-fluoro-, hydrochloride, RefChem:1079433
| Molecular Formula | C12H20ClFN2O |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | -2.19 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.12482 |
| Heavy Atoms | 17 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 56795-20-1 |
|---|---|
| SMILES | CC(C)(C)[NH2+]CC(C1=CC(=C(C=C1)N)F)O.[Cl-] |
| InChIKey | ZTOJVVBTYKAIKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride (CAS 56795-20-1), with molecular formula C12H20ClFN2O and molecular weight 262.12 g/mol. IUPAC: [2-(4-amino-3-fluorophenyl)-2-hydroxyethyl]-tert-butylazanium chloride.
Chemical Property Profile of Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride
Property Insights of Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride
The XLogP value of -2.19 indicates that Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride. Following Lipinski's Rule of Five, Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, 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 Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride?
The CAS number of Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride is 56795-20-1.
What is the molecular formula of Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride?
The molecular formula of Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride is C12H20ClFN2O.
What is the molecular weight of Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride?
The molecular weight of Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride is 262.12 g/mol.
Where can I buy Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride?
You can request a quote for Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3-fluoro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.