2,3-Dimethoxyphenylacetonitrile
TL;DR: 2,3-Dimethoxyphenylacetonitrile (CAS 132915-80-1) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,3-dimethoxyphenyl)acetonitrile
Also Known As: 2,3-Dimethoxyphenylacetonitrile, 2-(2,3-dimethoxyphenyl)acetonitrile, Dopamine Impurity 53, veratrol-3-acetonitrile, (2,3-dimethoxyphenyl)acetonitrile
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.07898 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 Da |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
| SMILES | COC1=CC=CC(=C1OC)CC#N |
| InChIKey | VAOKGCHIOACZHR-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dimethoxyphenylacetonitrile
Property Insights of 2,3-Dimethoxyphenylacetonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethoxyphenylacetonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 2,3-Dimethoxyphenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethoxyphenylacetonitrile has 0 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 2,3-Dimethoxyphenylacetonitrile?
The CAS number of 2,3-Dimethoxyphenylacetonitrile is 132915-80-1.
What is the molecular formula of 2,3-Dimethoxyphenylacetonitrile?
The molecular formula of 2,3-Dimethoxyphenylacetonitrile is C10H11NO2.
What is the molecular weight of 2,3-Dimethoxyphenylacetonitrile?
The molecular weight of 2,3-Dimethoxyphenylacetonitrile is 177.07898 g/mol.
Where can I buy 2,3-Dimethoxyphenylacetonitrile?
You can request a quote for 2,3-Dimethoxyphenylacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dimethoxyphenylacetonitrile?
Yes, CoreyChem provides custom synthesis services for 2,3-Dimethoxyphenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.