Benzeneacetonitrile, alpha-ethyl-
TL;DR: Benzeneacetonitrile, alpha-ethyl- (CAS 769-68-6) is a chemical compound with molecular formula C10H11N and molecular weight 145.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylbutanenitrile
Also Known As: 2-Phenylbutanenitrile, 2-Phenylbutyronitrile, 2-Phenylbutanentrile, 1-Cyano-1-phenylpropane, Benzeneacetonitrile
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.08914 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 769-68-6 |
|---|---|
| SMILES | CCC(C#N)C1=CC=CC=C1 |
| InChIKey | IZPUPXNVRNBDSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetonitrile, alpha-ethyl- (CAS 769-68-6), with molecular formula C10H11N and molecular weight 145.09 g/mol. IUPAC: 2-phenylbutanenitrile.
Chemical Property Profile of Benzeneacetonitrile, alpha-ethyl-
Property Insights of Benzeneacetonitrile, alpha-ethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetonitrile, alpha-ethyl-. With a topological polar surface area (TPSA) of 23.8 Ų, Benzeneacetonitrile, alpha-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetonitrile, alpha-ethyl- 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 Benzeneacetonitrile, alpha-ethyl-?
The CAS number of Benzeneacetonitrile, alpha-ethyl- is 769-68-6.
What is the molecular formula of Benzeneacetonitrile, alpha-ethyl-?
The molecular formula of Benzeneacetonitrile, alpha-ethyl- is C10H11N.
What is the molecular weight of Benzeneacetonitrile, alpha-ethyl-?
The molecular weight of Benzeneacetonitrile, alpha-ethyl- is 145.09 g/mol.
Where can I buy Benzeneacetonitrile, alpha-ethyl-?
You can request a quote for Benzeneacetonitrile, alpha-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, alpha-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, alpha-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.