Diphenylacetonitrile
TL;DR: Diphenylacetonitrile (CAS 86-29-3) is a chemical compound with molecular formula C14H11N and molecular weight 193.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diphenylacetonitrile
Also Known As: DIPHENYLACETONITRILE, 2,2-diphenylacetonitrile, Dipan, Diphenatrile, Benzhydrylcyanide
| Molecular Formula | C14H11N |
|---|---|
| Molecular Weight | 193.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.08914 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
| Vapor Pressure | 0.000102 [mmHg] |
Chemical Identifiers
| CAS Number | 86-29-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2 |
| InChIKey | NEBPTMCRLHKPOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diphenylacetonitrile (CAS 86-29-3), with molecular formula C14H11N and molecular weight 193.09 g/mol. IUPAC: 2,2-diphenylacetonitrile.
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
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 193.09 g/mol.
Where can I buy Diphenylacetonitrile?
You can request a quote for Diphenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diphenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Diphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.