2-Phenylpropionitrile
TL;DR: 2-Phenylpropionitrile (CAS 1823-91-2) is a chemical compound with molecular formula C9H9N and molecular weight 131.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylpropanenitrile
Also Known As: 2-Phenylpropanenitrile, 2-PHENYLPROPIONITRILE, Hydratroponitrile, alpha-Methylphenylacetonitrile, alpha-Methylbenzyl cyanide
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 1823-91-2 |
|---|---|
| SMILES | CC(C#N)C1=CC=CC=C1 |
| InChIKey | NVAOLENBKNECGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylpropionitrile (CAS 1823-91-2), with molecular formula C9H9N and molecular weight 131.07 g/mol. IUPAC: 2-phenylpropanenitrile.
Chemical Property Profile of 2-Phenylpropionitrile
Property Insights of 2-Phenylpropionitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylpropionitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Phenylpropionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylpropionitrile 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 2-Phenylpropionitrile?
The CAS number of 2-Phenylpropionitrile is 1823-91-2.
What is the molecular formula of 2-Phenylpropionitrile?
The molecular formula of 2-Phenylpropionitrile is C9H9N.
What is the molecular weight of 2-Phenylpropionitrile?
The molecular weight of 2-Phenylpropionitrile is 131.07 g/mol.
Where can I buy 2-Phenylpropionitrile?
You can request a quote for 2-Phenylpropionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylpropionitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylpropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.