丙二腈
TL;DR: 丙二腈 (CAS 109-77-3) is a chemical compound with molecular formula C3H2N2 and molecular weight 66.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙二腈
propanedinitrile
Also Known As: MALONONITRILE, Propanedinitrile, Dicyanomethane, Malonic dinitrile, Methylene cyanide
| Molecular Formula | C3H2N2 |
|---|---|
| Molecular Weight | 66.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 66.0218 |
| Heavy Atoms | 5 |
| Complexity | 82.0 |
| Melting Point | 32.2 °C |
| Boiling Point | 424 to 218.9 °C at 760 mmHg |
| Density | 1.191 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 72.5 °F (NTP, 1992) |
| Flash Point | 130.0 °C |
| Vapor Pressure | 0.2 [mmHg] |
| Refractive Index | 1.4146 @ 34 °C |
| GHS Signal | Danger |
| H-Statements | H300, H311 + H331, H317, H319, H410, H5437 |
Chemical Identifiers
| CAS Number | 109-77-3 |
|---|---|
| SMILES | C(C#N)C#N |
| InChIKey | CUONGYYJJVDODC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙二腈 (CAS 109-77-3), with molecular formula C3H2N2 and molecular weight 66.02 g/mol. IUPAC: propanedinitrile.
Chemical Property Profile of 丙二腈
Property Insights of 丙二腈
The XLogP value of -0.5 indicates that 丙二腈 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, 丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙二腈 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 丙二腈?
The CAS number of 丙二腈 is 109-77-3.
What is the molecular formula of 丙二腈?
The molecular formula of 丙二腈 is C3H2N2.
What is the molecular weight of 丙二腈?
The molecular weight of 丙二腈 is 66.02 g/mol.
Where can I buy 丙二腈?
You can request a quote for 丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.