N-acetyl-o-toluidine
TL;DR: N-acetyl-o-toluidine (CAS 120-66-1) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-methylphenyl)acetamide
Also Known As: o-Acetotoluidide, N-(o-Tolyl)acetamide, o-Acetotoluide, 2'-Methylacetanilide, N-(2-Methylphenyl)acetamide
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO |
| Molecular Weight | 149.08406 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.08406 Da |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
| Melting Point | 230 °F (NTP, 1992) |
| Boiling Point | 565 °F at 760 mmHg (NTP, 1992) |
| Density | 1.168 (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.000183 [mmHg] |
| Solubility | Insoluble (NTP, 1992) |
| SMILES | CC1=CC=CC=C1NC(=O)C |
| InChIKey | BPEXTIMJLDWDTL-UHFFFAOYSA-N |
Product Description
Applications: N-acetyl-o-toluidine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
N-acetyl-o-toluidine (CAS 120-66-1) is a heterocyclic building block with the molecular formula C9H11NO and a molecular weight of 149.08 g/mol. Key physical properties include a density of 1.168 (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: Insoluble (NTP, 1992). Synonyms include o-Acetotoluidide and N-(o-Tolyl)acetamide.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of N-acetyl-o-toluidine
Property Insights of N-acetyl-o-toluidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetyl-o-toluidine. With a topological polar surface area (TPSA) of 29.1 Ų, N-acetyl-o-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-acetyl-o-toluidine has 1 hydrogen bond donor(s) and 1 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-acetyl-o-toluidine?
The CAS number of N-acetyl-o-toluidine is 120-66-1.
What is the molecular formula of N-acetyl-o-toluidine?
The molecular formula of N-acetyl-o-toluidine is C9H11NO.
What is the molecular weight of N-acetyl-o-toluidine?
The molecular weight of N-acetyl-o-toluidine is 149.08406 g/mol.
What are the applications of N-acetyl-o-toluidine?
N-acetyl-o-toluidine is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy N-acetyl-o-toluidine?
You can request a quote for N-acetyl-o-toluidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-acetyl-o-toluidine?
Yes, CoreyChem provides custom synthesis services for N-acetyl-o-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.