2-(2-Methylnaphthalen-1-yl)acetonitrile
TL;DR: 2-(2-Methylnaphthalen-1-yl)acetonitrile (CAS 69815-53-8) is a chemical compound with molecular formula C13H11N and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylnaphthalen-1-yl)acetonitrile
Also Known As: 2-Methyl-1-naphthaleneacetonitrile, (2-Methyl-1-naphthyl)acetonitrile, 2-(2-methylnaphthalen-1-yl)acetonitrile, 1-Naphthaleneacetonitrile, 2-methyl-, (2-Methylnaphthalen-1-yl)acetonitrile
| Molecular Formula | C13H11N |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.08914 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 69815-53-8 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C=C1)CC#N |
| InChIKey | WRJGSBPPDFYVSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Methylnaphthalen-1-yl)acetonitrile (CAS 69815-53-8), with molecular formula C13H11N and molecular weight 181.09 g/mol. IUPAC: 2-(2-methylnaphthalen-1-yl)acetonitrile.
Chemical Property Profile of 2-(2-Methylnaphthalen-1-yl)acetonitrile
Property Insights of 2-(2-Methylnaphthalen-1-yl)acetonitrile
The XLogP value of 3.6 indicates that 2-(2-Methylnaphthalen-1-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2-(2-Methylnaphthalen-1-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Methylnaphthalen-1-yl)acetonitrile 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-(2-Methylnaphthalen-1-yl)acetonitrile?
The CAS number of 2-(2-Methylnaphthalen-1-yl)acetonitrile is 69815-53-8.
What is the molecular formula of 2-(2-Methylnaphthalen-1-yl)acetonitrile?
The molecular formula of 2-(2-Methylnaphthalen-1-yl)acetonitrile is C13H11N.
What is the molecular weight of 2-(2-Methylnaphthalen-1-yl)acetonitrile?
The molecular weight of 2-(2-Methylnaphthalen-1-yl)acetonitrile is 181.09 g/mol.
Where can I buy 2-(2-Methylnaphthalen-1-yl)acetonitrile?
You can request a quote for 2-(2-Methylnaphthalen-1-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Methylnaphthalen-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methylnaphthalen-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.