Diphenylacetonitrile
TL;DR: Diphenylacetonitrile (CAS 86-29-3) is a chemical compound with molecular formula C14H11N and molecular weight 193.08914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-diphenylacetonitrile
Also Known As: DIPHENYLACETONITRILE, 2,2-diphenylacetonitrile, Dipan, Diphenatrile, Benzhydrylcyanide
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H11N |
| Molecular Weight | 193.08914 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.08914 Da |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
| Vapor Pressure | 0.000102 [mmHg] |
| SMILES | C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2 |
| InChIKey | NEBPTMCRLHKPOB-UHFFFAOYSA-N |
Product Description
Applications: Diphenylacetonitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diphenylacetonitrile (CAS 86-29-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Diphenylacetonitrile (CAS 86-29-3) is a heterocyclic building block with the molecular formula C14H11N and a molecular weight of 193.09 g/mol. It is also known as DIPHENYLACETONITRILE and 2,2-diphenylacetonitrile.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Diphenylacetonitrile
Property Insights of Diphenylacetonitrile
The XLogP value of 3.2 indicates that Diphenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Diphenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diphenylacetonitrile 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
What is the CAS number of Diphenylacetonitrile?
The CAS number of Diphenylacetonitrile is 86-29-3.
What is the molecular formula of Diphenylacetonitrile?
The molecular formula of Diphenylacetonitrile is C14H11N.
What is the molecular weight of Diphenylacetonitrile?
The molecular weight of Diphenylacetonitrile is 193.08914 g/mol.
What are the applications of Diphenylacetonitrile?
Diphenylacetonitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy Diphenylacetonitrile?
You can request a quote for Diphenylacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diphenylacetonitrile?
Yes, CoreyChem provides custom synthesis services for Diphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.