三氘代乙腈
TL;DR: 三氘代乙腈 (CAS 2206-26-0) is a chemical compound with molecular formula C2H3N and molecular weight 44.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氘代乙腈
2,2,2-trideuterioacetonitrile
Also Known As: Acetonitrile-d3, (2H3)Acetonitrile, Acetonitrile D3, Methyl-d3 cyanide, Cyanomethane
| Molecular Formula | C2H3N |
|---|---|
| Molecular Weight | 44.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 44.04538 |
| Heavy Atoms | 3 |
| Complexity | 29.0 |
| Appearance | liquid |
| Melting Point | -45 °C |
| Boiling Point | 81.3 °C @760 [mm Hg] |
| Density | 0.849 @ 20°C |
| Vapor Pressure | 74 [mm Hg] @20 °C |
| Refractive Index | n20 1.341 (lit.) |
Chemical Identifiers
| CAS Number | 2206-26-0 |
|---|---|
| SMILES | [2H]C([2H])([2H])C#N |
| InChIKey | WEVYAHXRMPXWCK-FIBGUPNXSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
📋 Applications
Application Acetonitrile-d3 has been used as a deuterated solvent for the dissolution of internal standard and sample in qNMR (Quantitative Nuclear Magnetic Resonance) quantification experiments. It has also been used as the deuterated solvent in the synthesis of N-methyl indolylfulgimide, which is studied using UV-pump-IR-probe spectroscopy. Other Notes Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us f
Product Overview
三氘代乙腈 (CAS 2206-26-0), with molecular formula C2H3N and molecular weight 44.05 g/mol. IUPAC: 2,2,2-trideuterioacetonitrile.
Appearance: liquid, purity ≥99% (CP).
Primary applications: Application Acetonitrile-d3 has been used as a deuterated solvent for the dissolution of internal standard and sample in qNMR (Quantitative Nuclear Magnetic Resonance) quantification experiments. It has also been used as the deuterated solvent in the synthesis of N-methyl indolylfulgimide, which is studied using UV-pump-IR-probe spectroscopy. Other Notes Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us f.
Chemical Property Profile of 三氘代乙腈
Property Insights of 三氘代乙腈
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氘代乙腈. With a topological polar surface area (TPSA) of 23.8 Ų, 三氘代乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三氘代乙腈 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 三氘代乙腈?
The CAS number of 三氘代乙腈 is 2206-26-0.
What is the molecular formula of 三氘代乙腈?
The molecular formula of 三氘代乙腈 is C2H3N.
What is the molecular weight of 三氘代乙腈?
The molecular weight of 三氘代乙腈 is 44.05 g/mol.
What does 三氘代乙腈 look like?
三氘代乙腈 appears as liquid.
What are the applications of 三氘代乙腈?
Application Acetonitrile-d3 has been used as a deuterated solvent for the dissolution of internal standard and sample in qNMR (Quantitative Nuclear Magnetic Resonance) quantification experiments. It has also been used as the deuterated solvent in the synthesis of N-methyl indolylfulgimide, which...
Where can I buy 三氘代乙腈?
You can request a quote for 三氘代乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氘代乙腈?
Yes, KEHONG BIO provides custom synthesis services for 三氘代乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.