2-Iodo-2-methylpropionitrile
TL;DR: 2-Iodo-2-methylpropionitrile (CAS 19481-79-9) is a chemical compound with molecular formula C4H6IN and molecular weight 194.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodo-2-methylpropanenitrile
Also Known As: 2-Iodo-2-methylpropionitrile, 2-Iodo-2-methylpropanenitrile, Propanenitrile, 2-iodo-2-methyl-, 2-Iodoisobutyronitrile, 2-Iodopropane-2-carbonitrile
| Molecular Formula | C4H6IN |
|---|---|
| Molecular Weight | 194.95 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 194.9545 |
| Heavy Atoms | 6 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 19481-79-9 |
|---|---|
| SMILES | CC(C)(C#N)I |
| InChIKey | DBESYUOJKJZGLV-UHFFFAOYSA-N |
Product Overview
2-Iodo-2-methylpropionitrile (CAS 19481-79-9), with molecular formula C4H6IN and molecular weight 194.95 g/mol. IUPAC: 2-iodo-2-methylpropanenitrile.
Chemical Property Profile of 2-Iodo-2-methylpropionitrile
Property Insights of 2-Iodo-2-methylpropionitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodo-2-methylpropionitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Iodo-2-methylpropionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodo-2-methylpropionitrile has 0 hydrogen bond donor(s) and 1 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-Iodo-2-methylpropionitrile?
The CAS number of 2-Iodo-2-methylpropionitrile is 19481-79-9.
What is the molecular formula of 2-Iodo-2-methylpropionitrile?
The molecular formula of 2-Iodo-2-methylpropionitrile is C4H6IN.
What is the molecular weight of 2-Iodo-2-methylpropionitrile?
The molecular weight of 2-Iodo-2-methylpropionitrile is 194.95 g/mol.
Where can I buy 2-Iodo-2-methylpropionitrile?
You can request a quote for 2-Iodo-2-methylpropionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodo-2-methylpropionitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodo-2-methylpropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.