4-((2-Hydroxyethyl)amino)benzonitrile
TL;DR: 4-((2-Hydroxyethyl)amino)benzonitrile (CAS 98952-77-3) is a chemical compound with molecular formula C9H10N2O and molecular weight 162.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethylamino)benzonitrile
Also Known As: 4-[(2-hydroxyethyl)amino]benzonitrile, 4-(2-hydroxyethylamino)benzonitrile, 4-((2-hydroxyethyl)amino)benzonitrile, 4-(N-2-hydroxyethyl)-aminobenzonitrile, 960-632-6
| Molecular Formula | C9H10N2O |
|---|---|
| Molecular Weight | 162.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 56.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.07932 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 98952-77-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NCCO |
| InChIKey | MWBQMSRVSRVKKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((2-Hydroxyethyl)amino)benzonitrile (CAS 98952-77-3), with molecular formula C9H10N2O and molecular weight 162.08 g/mol. IUPAC: 4-(2-hydroxyethylamino)benzonitrile.
Chemical Property Profile of 4-((2-Hydroxyethyl)amino)benzonitrile
Property Insights of 4-((2-Hydroxyethyl)amino)benzonitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-Hydroxyethyl)amino)benzonitrile. With a topological polar surface area (TPSA) of 56.1 Ų, 4-((2-Hydroxyethyl)amino)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-Hydroxyethyl)amino)benzonitrile 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 4-((2-Hydroxyethyl)amino)benzonitrile?
The CAS number of 4-((2-Hydroxyethyl)amino)benzonitrile is 98952-77-3.
What is the molecular formula of 4-((2-Hydroxyethyl)amino)benzonitrile?
The molecular formula of 4-((2-Hydroxyethyl)amino)benzonitrile is C9H10N2O.
What is the molecular weight of 4-((2-Hydroxyethyl)amino)benzonitrile?
The molecular weight of 4-((2-Hydroxyethyl)amino)benzonitrile is 162.08 g/mol.
Where can I buy 4-((2-Hydroxyethyl)amino)benzonitrile?
You can request a quote for 4-((2-Hydroxyethyl)amino)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-Hydroxyethyl)amino)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Hydroxyethyl)amino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.