1-Naphthaleneacetonitrile
TL;DR: 1-Naphthaleneacetonitrile (CAS 132-75-2) is a chemical compound with molecular formula C12H9N and molecular weight 167.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-naphthalen-1-ylacetonitrile
Also Known As: 1-Naphthylacetonitrile, 2-(Naphthalen-1-yl)acetonitrile, 1-Naphthyl acetonitrile, 1-NAPHTHALENEACETONITRILE, 2-Naphthylacetonitrile
| Molecular Formula | C12H9N |
|---|---|
| Molecular Weight | 167.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.0735 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 132-75-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2CC#N |
| InChIKey | OQRMWUNUKVUHQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Naphthaleneacetonitrile (CAS 132-75-2), with molecular formula C12H9N and molecular weight 167.07 g/mol. IUPAC: 2-naphthalen-1-ylacetonitrile.
Chemical Property Profile of 1-Naphthaleneacetonitrile
Property Insights of 1-Naphthaleneacetonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Naphthaleneacetonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 1-Naphthaleneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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
Frequently Asked Questions
What is the CAS number of 1-Naphthaleneacetonitrile?
The CAS number of 1-Naphthaleneacetonitrile is 132-75-2.
What is the molecular formula of 1-Naphthaleneacetonitrile?
The molecular formula of 1-Naphthaleneacetonitrile is C12H9N.
What is the molecular weight of 1-Naphthaleneacetonitrile?
The molecular weight of 1-Naphthaleneacetonitrile is 167.07 g/mol.
Where can I buy 1-Naphthaleneacetonitrile?
You can request a quote for 1-Naphthaleneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthaleneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthaleneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.