N-Methylaniline
TL;DR: N-Methylaniline (CAS 100-61-8) is a chemical compound with molecular formula C7H9N and molecular weight 107.0735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-methylaniline
Also Known As: N-METHYLANILINE, Methylaniline, Monomethylaniline, Methylphenylamine, N-Methyl aniline
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H9N |
| Molecular Weight | 107.0735 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 107.0735 Da |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
| Melting Point | -71 °F (NTP, 1992) |
| Boiling Point | 385.3 °F at 760 mmHg (NTP, 1992) |
| Density | 0.989 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 175 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 106 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.57367 @ 15 °C/D; 1.5684 @ 25 °C/D |
| Solubility | 1 to 5 mg/mL at 70.7 °F (NTP, 1992) |
| SMILES | CNC1=CC=CC=C1 |
| InChIKey | AFBPFSWMIHJQDM-UHFFFAOYSA-N |
Product Description
Applications: N-Methylaniline 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-Methylaniline is a heterocyclic building block identified by CAS number 100-61-8 and the molecular formula C7H9N and a molecular weight of 107.07 g/mol. Physically, the compound has a density of 0.989 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 1 to 5 mg/mL at 70.7 °F (NTP, 1992). Synonyms include N-METHYLANILINE and Methylaniline.
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-Methylaniline
Property Insights of N-Methylaniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylaniline. With a topological polar surface area (TPSA) of 12.0 Ų, N-Methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylaniline 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-Methylaniline?
The CAS number of N-Methylaniline is 100-61-8.
What is the molecular formula of N-Methylaniline?
The molecular formula of N-Methylaniline is C7H9N.
What is the molecular weight of N-Methylaniline?
The molecular weight of N-Methylaniline is 107.0735 g/mol.
What are the applications of N-Methylaniline?
N-Methylaniline 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-Methylaniline?
You can request a quote for N-Methylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Methylaniline?
Yes, CoreyChem provides custom synthesis services for N-Methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.