Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride
TL;DR: Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride (CAS 88461-59-0) is a chemical compound with molecular formula C12H20ClNO2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride
Also Known As: alpha-((Butylamino)methyl)-3-hydroxybenzyl alcohol hydrochloride, BENZYL ALCOHOL, alpha-((BUTYLAMINO)METHYL)-3-HYDROXY-, HYDROCHLORIDE, butyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride, RefChem:328572
| Molecular Formula | C12H20ClNO2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | -2.21 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.11826 |
| Heavy Atoms | 16 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 88461-59-0 |
|---|---|
| SMILES | CCCC[NH2+]CC(C1=CC(=CC=C1)O)O.[Cl-] |
| InChIKey | VMPZQUYBYXOXBU-UHFFFAOYSA-N |
Product Overview
Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride (CAS 88461-59-0), with molecular formula C12H20ClNO2 and molecular weight 245.12 g/mol. IUPAC: butyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride.
Chemical Property Profile of Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride
Property Insights of Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride
The XLogP value of -2.21 indicates that Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.1 Ų, Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride 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 Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride?
The CAS number of Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride is 88461-59-0.
What is the molecular formula of Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride?
The molecular formula of Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride is C12H20ClNO2.
What is the molecular weight of Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride?
The molecular weight of Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride is 245.12 g/mol.
Where can I buy Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride?
You can request a quote for Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, 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, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzyl alcohol, alpha-((butylamino)methyl)-3-hydroxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.