三氰基甲烷
TL;DR: 三氰基甲烷 (CAS 454-50-2) is a chemical compound with molecular formula C4HN3 and molecular weight 91.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氰基甲烷
methanetricarbonitrile
Also Known As: tricyanomethane, cyanoform, methanetricarbonitrile, Methylidynetricyanide, 2-Cyanomalononitrile
| Molecular Formula | C4HN3 |
|---|---|
| Molecular Weight | 91.02 g/mol |
| LogP | 0.17334 |
| Topological Polar Surface Area | 71.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 91.017044 |
| Heavy Atoms | 7 |
| Complexity | 129.5604 |
Chemical Identifiers
| CAS Number | 454-50-2 |
|---|---|
| SMILES | C(#N)C(C#N)C#N |
Product Overview
三氰基甲烷 (CAS 454-50-2), with molecular formula C4HN3 and molecular weight 91.02 g/mol. IUPAC: methanetricarbonitrile.
Chemical Property Profile of 三氰基甲烷
Property Insights of 三氰基甲烷
The XLogP value of 0.17334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氰基甲烷. The TPSA of 71.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 三氰基甲烷. Following Lipinski's Rule of Five, 三氰基甲烷 has 0 hydrogen bond donor(s) and 3 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 三氰基甲烷?
The CAS number of 三氰基甲烷 is 454-50-2.
What is the molecular formula of 三氰基甲烷?
The molecular formula of 三氰基甲烷 is C4HN3.
What is the molecular weight of 三氰基甲烷?
The molecular weight of 三氰基甲烷 is 91.02 g/mol.
Where can I buy 三氰基甲烷?
You can request a quote for 三氰基甲烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氰基甲烷?
Yes, KEHONG BIO provides custom synthesis services for 三氰基甲烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.