4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile
TL;DR: 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile (CAS 23456-95-3) 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.
4-(dimethylaminodiazenyl)benzonitrile
Also Known As: Triazene,3-dimethyl-, 4-(dimethylaminodiazenyl)benzonitrile, Benzonitrile, 4-(3,3-dimethyl-1-triazenyl)-, 1-(p-Cyanophenyl)-3,3-dimethyltriazene, Triazene, 1-(p-cyanophenyl)-3,3-dimethyl-
| Molecular Formula | C9H10N4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 2.4 |
| 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 | 217.0 |
Chemical Identifiers
| CAS Number | 23456-95-3 |
|---|---|
| SMILES | CN(C)N=NC1=CC=C(C=C1)C#N |
| InChIKey | RBUDTHMFOGHSOD-UHFFFAOYSA-N |
Product Overview
4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile (CAS 23456-95-3), with molecular formula C9H10N4 and molecular weight 174.09 g/mol. IUPAC: 4-(dimethylaminodiazenyl)benzonitrile.
Chemical Property Profile of 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile
Property Insights of 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 51.8 Ų, 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3,3-Dimethyl-1-triazen-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 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile?
The CAS number of 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile is 23456-95-3.
What is the molecular formula of 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile?
The molecular formula of 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile is C9H10N4.
What is the molecular weight of 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile?
The molecular weight of 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile is 174.09 g/mol.
Where can I buy 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile?
You can request a quote for 4-(3,3-Dimethyl-1-triazen-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 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,3-Dimethyl-1-triazen-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.