2-(tert-Butylazo)-2-butanenitrile
TL;DR: 2-(tert-Butylazo)-2-butanenitrile (CAS 52235-20-8) is a chemical compound with molecular formula C9H17N3 and molecular weight 167.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butyldiazenyl)-2-methylbutanenitrile
Also Known As: 2-(tert-Butylazo)-2-butanenitrile, 2-tert-Butylazo-2-cyanobutane, 2-((tert-Butyl)azo)-2-methylbutyronitrile, 2-[(tert-Butyl)azo]-2-methylbutyronitrile, 2-tert-Butylazo-2-methylbutyronitrile
| Molecular Formula | C9H17N3 |
|---|---|
| Molecular Weight | 167.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 48.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.14224 |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 52235-20-8 |
|---|---|
| SMILES | CCC(C)(C#N)N=NC(C)(C)C |
| InChIKey | JZDHUYKBYNFYAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(tert-Butylazo)-2-butanenitrile (CAS 52235-20-8), with molecular formula C9H17N3 and molecular weight 167.14 g/mol. IUPAC: 2-(tert-butyldiazenyl)-2-methylbutanenitrile.
Chemical Property Profile of 2-(tert-Butylazo)-2-butanenitrile
Property Insights of 2-(tert-Butylazo)-2-butanenitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(tert-Butylazo)-2-butanenitrile. With a topological polar surface area (TPSA) of 48.5 Ų, 2-(tert-Butylazo)-2-butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-Butylazo)-2-butanenitrile has 0 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 2-(tert-Butylazo)-2-butanenitrile?
The CAS number of 2-(tert-Butylazo)-2-butanenitrile is 52235-20-8.
What is the molecular formula of 2-(tert-Butylazo)-2-butanenitrile?
The molecular formula of 2-(tert-Butylazo)-2-butanenitrile is C9H17N3.
What is the molecular weight of 2-(tert-Butylazo)-2-butanenitrile?
The molecular weight of 2-(tert-Butylazo)-2-butanenitrile is 167.14 g/mol.
Where can I buy 2-(tert-Butylazo)-2-butanenitrile?
You can request a quote for 2-(tert-Butylazo)-2-butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-Butylazo)-2-butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butylazo)-2-butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.