N-(cyanomethyl)-2-methylbenzamide
TL;DR: N-(cyanomethyl)-2-methylbenzamide (CAS 121050-94-0) is a chemical compound with molecular formula C10H10N2O and molecular weight 174.07932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(cyanomethyl)-2-methylbenzamide
Also Known As: N-(cyanomethyl)-2-methylbenzamide, N-cyanomethyl-o-toluamide, N-(cyanomethyl)(2-methylphenyl)carboxamide
Technical Specifications
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.07932 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.07932 Da |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
| SMILES | CC1=CC=CC=C1C(=O)NCC#N |
| InChIKey | HQKXJMVGJKGPNV-UHFFFAOYSA-N |
Chemical Property Profile of N-(cyanomethyl)-2-methylbenzamide
Property Insights of N-(cyanomethyl)-2-methylbenzamide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(cyanomethyl)-2-methylbenzamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(cyanomethyl)-2-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(cyanomethyl)-2-methylbenzamide has 1 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 N-(cyanomethyl)-2-methylbenzamide?
The CAS number of N-(cyanomethyl)-2-methylbenzamide is 121050-94-0.
What is the molecular formula of N-(cyanomethyl)-2-methylbenzamide?
The molecular formula of N-(cyanomethyl)-2-methylbenzamide is C10H10N2O.
What is the molecular weight of N-(cyanomethyl)-2-methylbenzamide?
The molecular weight of N-(cyanomethyl)-2-methylbenzamide is 174.07932 g/mol.
Where can I buy N-(cyanomethyl)-2-methylbenzamide?
You can request a quote for N-(cyanomethyl)-2-methylbenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(cyanomethyl)-2-methylbenzamide?
Yes, CoreyChem provides custom synthesis services for N-(cyanomethyl)-2-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.