![2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile structure](/static/products/6697/66974-59-2.webp)
2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile
TL;DR: 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile (CAS 66974-59-2) is a chemical compound with molecular formula C9H10N4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylaminodiazenyl)benzonitrile
Also Known As: 2-(dimethylaminodiazenyl)benzonitrile, 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile
| Molecular Formula | C9H10N4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.09055 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 66974-59-2 |
|---|---|
| SMILES | CN(C)N=NC1=CC=CC=C1C#N |
| InChIKey | RPBROIBRVOVULA-UHFFFAOYSA-N |
Product Overview
2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile (CAS 66974-59-2), with molecular formula C9H10N4 and molecular weight 174.09 g/mol. IUPAC: 2-(dimethylaminodiazenyl)benzonitrile.
Chemical Property Profile of 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile
Property Insights of 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile. With a topological polar surface area (TPSA) of 51.8 Ų, 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile has 0 hydrogen bond donor(s) and 4 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)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile?
The CAS number of 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile is 66974-59-2.
What is the molecular formula of 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile?
The molecular formula of 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile is C9H10N4.
What is the molecular weight of 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile?
The molecular weight of 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile is 174.09 g/mol.
Where can I buy 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile?
You can request a quote for 2-[(1E)-3,3-dimethyltriaz-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)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.