alpha-Methyl-1-naphthaleneacetonitrile
TL;DR: alpha-Methyl-1-naphthaleneacetonitrile (CAS 24168-42-1) is a chemical compound with molecular formula C13H11N and molecular weight 181.08914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-naphthalen-1-ylpropanenitrile
Also Known As: 2-(naphthalen-1-yl)propanenitrile, alpha-Methylnaphthalene-1-acetonitrile, 2-naphthalen-1-ylpropanenitrile, 2-(1-naphthyl)propanenitrile, 2-(1'-naphthyl)propionitrile
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H11N |
| Molecular Weight | 181.08914 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.08914 Da |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
| SMILES | CC(C#N)C1=CC=CC2=CC=CC=C21 |
| InChIKey | VQRBAFPBJMOCCK-UHFFFAOYSA-N |
Chemical Property Profile of alpha-Methyl-1-naphthaleneacetonitrile
Property Insights of alpha-Methyl-1-naphthaleneacetonitrile
The XLogP value of 3.4 indicates that alpha-Methyl-1-naphthaleneacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, alpha-Methyl-1-naphthaleneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Methyl-1-naphthaleneacetonitrile 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 alpha-Methyl-1-naphthaleneacetonitrile?
The CAS number of alpha-Methyl-1-naphthaleneacetonitrile is 24168-42-1.
What is the molecular formula of alpha-Methyl-1-naphthaleneacetonitrile?
The molecular formula of alpha-Methyl-1-naphthaleneacetonitrile is C13H11N.
What is the molecular weight of alpha-Methyl-1-naphthaleneacetonitrile?
The molecular weight of alpha-Methyl-1-naphthaleneacetonitrile is 181.08914 g/mol.
Where can I buy alpha-Methyl-1-naphthaleneacetonitrile?
You can request a quote for alpha-Methyl-1-naphthaleneacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Methyl-1-naphthaleneacetonitrile?
Yes, CoreyChem provides custom synthesis services for alpha-Methyl-1-naphthaleneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.