2-Methylpentanenitrile
TL;DR: 2-Methylpentanenitrile (CAS 75885-58-4) is a chemical compound with molecular formula C6H11N and molecular weight 97.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpentanenitrile
Also Known As: 2-methylpentanenitrile, Pentanenitrile, 2-methyl-, Pentanenitrile, methyl-, methylvaleronitrile, 2-methylvaleronitrile
| Molecular Formula | C6H11N |
|---|---|
| Molecular Weight | 97.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 97.08915 |
| Heavy Atoms | 7 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 75885-58-4 |
|---|---|
| SMILES | CCCC(C)C#N |
| InChIKey | FHBWGXDQIOWTCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylpentanenitrile (CAS 75885-58-4), with molecular formula C6H11N and molecular weight 97.09 g/mol. IUPAC: 2-methylpentanenitrile.
Chemical Property Profile of 2-Methylpentanenitrile
Property Insights of 2-Methylpentanenitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpentanenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Methylpentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpentanenitrile 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-Methylpentanenitrile?
The CAS number of 2-Methylpentanenitrile is 75885-58-4.
What is the molecular formula of 2-Methylpentanenitrile?
The molecular formula of 2-Methylpentanenitrile is C6H11N.
What is the molecular weight of 2-Methylpentanenitrile?
The molecular weight of 2-Methylpentanenitrile is 97.09 g/mol.
Where can I buy 2-Methylpentanenitrile?
You can request a quote for 2-Methylpentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.