2-Methylpentanedinitrile
TL;DR: 2-Methylpentanedinitrile (CAS 4553-62-2) is a chemical compound with molecular formula C6H8N2 and molecular weight 108.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpentanedinitrile
Also Known As: 2-Methylglutaronitrile, 2-METHYLPENTANEDINITRILE, Methylglutaronitrile, Diacrylonitrile, 1,3-Dicyanobutane
| Molecular Formula | C6H8N2 |
|---|---|
| Molecular Weight | 108.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.06875 |
| Heavy Atoms | 8 |
| Complexity | 142.0 |
| Boiling Point | 257 to 130.0 °C at 10 mmHg |
| Density | 0.95 at 20.0 °C - Less dense than water; will float |
| Solubility | 10 to 50 mg/mL at 70.7 °F (NTP, 1992) |
| Flash Point | 126.1 °C |
| Vapor Pressure | 0.0051 [mmHg] |
Chemical Identifiers
| CAS Number | 4553-62-2 |
|---|---|
| SMILES | CC(CCC#N)C#N |
| InChIKey | FPPLREPCQJZDAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylpentanedinitrile (CAS 4553-62-2), with molecular formula C6H8N2 and molecular weight 108.07 g/mol. IUPAC: 2-methylpentanedinitrile.
Chemical Property Profile of 2-Methylpentanedinitrile
Property Insights of 2-Methylpentanedinitrile
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpentanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-Methylpentanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpentanedinitrile 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
Frequently Asked Questions
What is the CAS number of 2-Methylpentanedinitrile?
The CAS number of 2-Methylpentanedinitrile is 4553-62-2.
What is the molecular formula of 2-Methylpentanedinitrile?
The molecular formula of 2-Methylpentanedinitrile is C6H8N2.
What is the molecular weight of 2-Methylpentanedinitrile?
The molecular weight of 2-Methylpentanedinitrile is 108.07 g/mol.
Where can I buy 2-Methylpentanedinitrile?
You can request a quote for 2-Methylpentanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpentanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpentanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.