4-(Aminooxy)benzonitrile
TL;DR: 4-(Aminooxy)benzonitrile (CAS 94831-79-5) is a chemical compound with molecular formula C7H6N2O and molecular weight 134.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-aminooxybenzonitrile
Also Known As: 4-(aminooxy)benzonitrile, 4-Aminooxybenzonitrile, N-(p-cyanophenoxy)amine, 870-424-6, RefChem:515113
| Molecular Formula | C7H6N2O |
|---|---|
| Molecular Weight | 134.05 g/mol |
| LogP | 0.81078 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.04802 |
| Heavy Atoms | 10 |
| Complexity | 247.30377 |
Chemical Identifiers
| CAS Number | 94831-79-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)ON |
Product Overview
4-(Aminooxy)benzonitrile (CAS 94831-79-5), with molecular formula C7H6N2O and molecular weight 134.05 g/mol. IUPAC: 4-aminooxybenzonitrile.
Chemical Property Profile of 4-(Aminooxy)benzonitrile
Property Insights of 4-(Aminooxy)benzonitrile
The XLogP value of 0.81078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Aminooxy)benzonitrile. With a topological polar surface area (TPSA) of 59.04 Ų, 4-(Aminooxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Aminooxy)benzonitrile has 1 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-(Aminooxy)benzonitrile?
The CAS number of 4-(Aminooxy)benzonitrile is 94831-79-5.
What is the molecular formula of 4-(Aminooxy)benzonitrile?
The molecular formula of 4-(Aminooxy)benzonitrile is C7H6N2O.
What is the molecular weight of 4-(Aminooxy)benzonitrile?
The molecular weight of 4-(Aminooxy)benzonitrile is 134.05 g/mol.
Where can I buy 4-(Aminooxy)benzonitrile?
You can request a quote for 4-(Aminooxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Aminooxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Aminooxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.