異丁腈
TL;DR: 異丁腈 (CAS 78-82-0) is a chemical compound with molecular formula C4H7N and molecular weight 69.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
異丁腈
2-methylpropanenitrile
Also Known As: Isobutyronitrile, Isopropyl cyanide, 2-METHYLPROPANENITRILE, 2-Methylpropionitrile, Isopropylnitrile
| Molecular Formula | C4H7N |
|---|---|
| Molecular Weight | 69.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 69.057846 |
| Heavy Atoms | 5 |
| Complexity | 55.0 |
| Melting Point | -71.5 °C |
| Boiling Point | 103.9 °C at 760 mmHg |
| Density | 0.733 to 0.7608 at 68 to 86 °F |
| Solubility | Slight (NIOSH, 2024) |
| Flash Point | 8.3 °C |
| Vapor Pressure | 100 mmHg at 54.4 °C |
| Refractive Index | 1.3713 @ 25 °C |
Chemical Identifiers
| CAS Number | 78-82-0 |
|---|---|
| SMILES | CC(C)C#N |
| InChIKey | LRDFRRGEGBBSRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
異丁腈 (CAS 78-82-0), with molecular formula C4H7N and molecular weight 69.06 g/mol. IUPAC: 2-methylpropanenitrile.
Chemical Property Profile of 異丁腈
Property Insights of 異丁腈
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 異丁腈. With a topological polar surface area (TPSA) of 23.8 Ų, 異丁腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 異丁腈 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 異丁腈?
The CAS number of 異丁腈 is 78-82-0.
What is the molecular formula of 異丁腈?
The molecular formula of 異丁腈 is C4H7N.
What is the molecular weight of 異丁腈?
The molecular weight of 異丁腈 is 69.06 g/mol.
Where can I buy 異丁腈?
You can request a quote for 異丁腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 異丁腈?
Yes, KEHONG BIO provides custom synthesis services for 異丁腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.