丁二腈
TL;DR: 丁二腈 (CAS 110-61-2) is a chemical compound with molecular formula C4H4N2 and molecular weight 80.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁二腈
butanedinitrile
Also Known As: SUCCINONITRILE, Butanedinitrile, Deprelin, Succinodinitrile, Dinile
| Molecular Formula | C4H4N2 |
|---|---|
| Molecular Weight | 80.04 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 80.037445 |
| Heavy Atoms | 6 |
| Complexity | 92.0 |
| Melting Point | 135 to 57.8 °C |
| Boiling Point | 509 to 267.2 °C at 760 mmHg |
| Density | 1.023 at 45.0 °C |
| Solubility | 50 to 100 mg/mL at 70 °F (NTP, 1992) |
| Flash Point | 132.2 °C |
| Vapor Pressure | 2 mmHg at 200.0 °C |
| Refractive Index | 1.4173 D/ 60 °C |
Chemical Identifiers
| CAS Number | 110-61-2 |
|---|---|
| SMILES | C(CC#N)C#N |
| InChIKey | IAHFWCOBPZCAEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁二腈 (CAS 110-61-2), with molecular formula C4H4N2 and molecular weight 80.04 g/mol. IUPAC: butanedinitrile.
Chemical Property Profile of 丁二腈
Property Insights of 丁二腈
The XLogP value of -1.0 indicates that 丁二腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.6 Ų, 丁二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁二腈 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 丁二腈?
The CAS number of 丁二腈 is 110-61-2.
What is the molecular formula of 丁二腈?
The molecular formula of 丁二腈 is C4H4N2.
What is the molecular weight of 丁二腈?
The molecular weight of 丁二腈 is 80.04 g/mol.
Where can I buy 丁二腈?
You can request a quote for 丁二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁二腈?
Yes, KEHONG BIO provides custom synthesis services for 丁二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.