2-(Naphthalen-1-yloxy)acetonitrile
TL;DR: 2-(Naphthalen-1-yloxy)acetonitrile (CAS 104096-13-1) is a chemical compound with molecular formula C12H9NO and molecular weight 183.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-naphthalen-1-yloxyacetonitrile
Also Known As: 2-(naphthalen-1-yloxy)acetonitrile, 2-naphthyloxyethanenitrile, 2-naphthalen-1-yloxyacetonitrile, 2-(1-naphthyloxy)acetonitrile
Technical Specifications
| Molecular Formula | C12H9NO |
| Molecular Weight | 183.06842 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.06842 Da |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2OCC#N |
| InChIKey | QWUBGVLFZJFONA-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Naphthalen-1-yloxy)acetonitrile
Property Insights of 2-(Naphthalen-1-yloxy)acetonitrile
The XLogP value of 3.0 indicates that 2-(Naphthalen-1-yloxy)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 2-(Naphthalen-1-yloxy)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Naphthalen-1-yloxy)acetonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Naphthalen-1-yloxy)acetonitrile?
The CAS number of 2-(Naphthalen-1-yloxy)acetonitrile is 104096-13-1.
What is the molecular formula of 2-(Naphthalen-1-yloxy)acetonitrile?
The molecular formula of 2-(Naphthalen-1-yloxy)acetonitrile is C12H9NO.
What is the molecular weight of 2-(Naphthalen-1-yloxy)acetonitrile?
The molecular weight of 2-(Naphthalen-1-yloxy)acetonitrile is 183.06842 g/mol.
Where can I buy 2-(Naphthalen-1-yloxy)acetonitrile?
You can request a quote for 2-(Naphthalen-1-yloxy)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Naphthalen-1-yloxy)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Naphthalen-1-yloxy)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.