偶氮二异丁腈
TL;DR: 偶氮二异丁腈 (CAS 78-67-1) is a chemical compound with molecular formula C8H12N4 and molecular weight 164.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
偶氮二异丁腈
2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile
Also Known As: Azobisisobutyronitrile, 2,2'-Azobis(2-methylpropionitrile), AIBN, Azdh, Genitron
| Molecular Formula | C8H12N4 |
|---|---|
| Molecular Weight | 164.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.1062 |
| Heavy Atoms | 12 |
| Complexity | 251.0 |
| Melting Point | 105.0 °C (105 °C) |
| Density | 1.1 g/cm³ |
| Solubility | SOL IN METHANOL @ 0, 20, 40 °C: 1.8, 4.96, 16.06 G/100 ML; SOL IN ETHANOL @ 0, 20, 40 °C: 0.58, 2.04, 7.15 G/100 ML |
| Vapor Pressure | 0.0067 [mmHg] |
Chemical Identifiers
| CAS Number | 78-67-1 |
|---|---|
| SMILES | CC(C)(C#N)N=NC(C)(C)C#N |
| InChIKey | OZAIFHULBGXAKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
偶氮二异丁腈 (CAS 78-67-1), with molecular formula C8H12N4 and molecular weight 164.11 g/mol. IUPAC: 2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile.
Chemical Property Profile of 偶氮二异丁腈
Property Insights of 偶氮二异丁腈
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 偶氮二异丁腈. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 偶氮二异丁腈. Following Lipinski's Rule of Five, 偶氮二异丁腈 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 偶氮二异丁腈?
The CAS number of 偶氮二异丁腈 is 78-67-1.
What is the molecular formula of 偶氮二异丁腈?
The molecular formula of 偶氮二异丁腈 is C8H12N4.
What is the molecular weight of 偶氮二异丁腈?
The molecular weight of 偶氮二异丁腈 is 164.11 g/mol.
Where can I buy 偶氮二异丁腈?
You can request a quote for 偶氮二异丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 偶氮二异丁腈?
Yes, KEHONG BIO provides custom synthesis services for 偶氮二异丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.