Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide
TL;DR: Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide (CAS 31416-87-2) is a chemical compound with molecular formula C8H11BrFNO and molecular weight 235.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-fluorophenyl)-2-hydroxyethyl]azanium bromide
Also Known As: alpha-Aminomethyl-3-fluorobenzyl alcohol hydrobromide, 2-Amino-1-(3-fluorophenyl)ethanol hydrobromide, Ethanol, 2-amino-1-(3-fluorophenyl)-, hydrobromide, BENZYL ALCOHOL, alpha-(AMINOMETHYL)-m-FLUORO-, HYDROBROMIDE, [2-(3-fluorophenyl)-2-hydroxyethyl]azanium bromide
| Molecular Formula | C8H11BrFNO |
|---|---|
| Molecular Weight | 235.00 g/mol |
| LogP | -2.89 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.0008 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 31416-87-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(C[NH3+])O.[Br-] |
| InChIKey | HFEPAHZTIFCVMH-UHFFFAOYSA-N |
Product Overview
Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide (CAS 31416-87-2), with molecular formula C8H11BrFNO and molecular weight 235.00 g/mol. IUPAC: [2-(3-fluorophenyl)-2-hydroxyethyl]azanium bromide.
Chemical Property Profile of Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide
Property Insights of Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide
The XLogP value of -2.89 indicates that Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.9 Ų, Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide has 2 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 Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide?
The CAS number of Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide is 31416-87-2.
What is the molecular formula of Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide?
The molecular formula of Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide is C8H11BrFNO.
What is the molecular weight of Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide?
The molecular weight of Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide is 235.00 g/mol.
Where can I buy Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide?
You can request a quote for Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl alcohol, alpha-(aminomethyl)-m-fluoro-, hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.