![2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile structure](/static/products/6697/66974-62-7.webp)
2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile
TL;DR: 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile (CAS 66974-62-7) is a chemical compound with molecular formula C10H12N4O and molecular weight 204.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-hydroxyethyl(methyl)amino]diazenyl]benzonitrile
Also Known As: 2-[[2-hydroxyethyl(methyl)amino]diazenyl]benzonitrile, 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile, Benzonitrile, 2-[3-(2-hydroxyethyl)-3-methyl-1-triazen-1-yl]-
| Molecular Formula | C10H12N4O |
|---|---|
| Molecular Weight | 204.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.1011 |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 66974-62-7 |
|---|---|
| SMILES | CN(CCO)N=NC1=CC=CC=C1C#N |
| InChIKey | NYZRMBJPWDMMMO-UHFFFAOYSA-N |
Product Overview
2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile (CAS 66974-62-7), with molecular formula C10H12N4O and molecular weight 204.10 g/mol. IUPAC: 2-[[2-hydroxyethyl(methyl)amino]diazenyl]benzonitrile.
Chemical Property Profile of 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile
Property Insights of 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile. Following Lipinski's Rule of Five, 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile has 1 hydrogen bond donor(s) and 5 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 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile?
The CAS number of 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile is 66974-62-7.
What is the molecular formula of 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile?
The molecular formula of 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile is C10H12N4O.
What is the molecular weight of 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile?
The molecular weight of 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile is 204.10 g/mol.
Where can I buy 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile?
You can request a quote for 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1E)-3-(2-Hydroxyethyl)-3-methyltriaz-1-en-1-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.