3-(2-Methylpropoxy)propanenitrile
TL;DR: 3-(2-Methylpropoxy)propanenitrile (CAS 58936-28-0) is a chemical compound with molecular formula C7H13NO and molecular weight 127.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpropoxy)propanenitrile
Also Known As: 3-(2-methylpropoxy)propanenitrile, 3-(2-Methylpropoxy)propiononitrile, 3- propiononitrile, 3-isobutoxypropanenitrile, beta-isobutoxypropionitrile
Technical Specifications
| Molecular Formula | C7H13NO |
| Molecular Weight | 127.09972 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 127.09972 Da |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
| SMILES | CC(C)COCCC#N |
| InChIKey | PHLODXGIZNXWBL-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Methylpropoxy)propanenitrile
Property Insights of 3-(2-Methylpropoxy)propanenitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methylpropoxy)propanenitrile. With a topological polar surface area (TPSA) of 33.0 Ų, 3-(2-Methylpropoxy)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylpropoxy)propanenitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Methylpropoxy)propanenitrile?
The CAS number of 3-(2-Methylpropoxy)propanenitrile is 58936-28-0.
What is the molecular formula of 3-(2-Methylpropoxy)propanenitrile?
The molecular formula of 3-(2-Methylpropoxy)propanenitrile is C7H13NO.
What is the molecular weight of 3-(2-Methylpropoxy)propanenitrile?
The molecular weight of 3-(2-Methylpropoxy)propanenitrile is 127.09972 g/mol.
Where can I buy 3-(2-Methylpropoxy)propanenitrile?
You can request a quote for 3-(2-Methylpropoxy)propanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Methylpropoxy)propanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(2-Methylpropoxy)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.