o-Anisidino-acetonitrile
TL;DR: o-Anisidino-acetonitrile (CAS 28354-25-8) is a chemical compound with molecular formula C9H10N2O and molecular weight 162.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methoxyanilino)acetonitrile
Also Known As: o-Anisidinoacetonitrile, ACETONITRILE, o-ANISIDINO-, O-Anisidino-Acetonitrile, 2-(2-methoxyanilino)acetonitrile, (2-Methoxyanilino)acetonitrile
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.07932 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 45.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.07932 Da |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
| SMILES | COC1=CC=CC=C1NCC#N |
| InChIKey | YLHGOLRGUDDMDW-UHFFFAOYSA-N |
Chemical Property Profile of o-Anisidino-acetonitrile
Property Insights of o-Anisidino-acetonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Anisidino-acetonitrile. With a topological polar surface area (TPSA) of 45.1 Ų, o-Anisidino-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Anisidino-acetonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of o-Anisidino-acetonitrile?
The CAS number of o-Anisidino-acetonitrile is 28354-25-8.
What is the molecular formula of o-Anisidino-acetonitrile?
The molecular formula of o-Anisidino-acetonitrile is C9H10N2O.
What is the molecular weight of o-Anisidino-acetonitrile?
The molecular weight of o-Anisidino-acetonitrile is 162.07932 g/mol.
Where can I buy o-Anisidino-acetonitrile?
You can request a quote for o-Anisidino-acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-Anisidino-acetonitrile?
Yes, CoreyChem provides custom synthesis services for o-Anisidino-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.