N-ethyl-3-methylaniline
TL;DR: N-ethyl-3-methylaniline (CAS 102-27-2) is a chemical compound with molecular formula C9H13N and molecular weight 135.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-ethyl-3-methylaniline
Also Known As: N-Ethyl-m-toluidine, N-ETHYL-3-METHYLANILINE, m-Toluidine, N-ethyl-, m-Methyl-N-ethylaniline, Benzenamine, N-ethyl-3-methyl-
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13N |
| Molecular Weight | 135.1048 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.1048 Da |
| Heavy Atoms | 10 |
| Complexity | 90.0 |
| Boiling Point | 221 °C |
| Vapor Pressure | 0.13 [mmHg] |
| Refractive Index | Index of refraction: 1.5451 @ 20 °C/D; |
| Solubility | Sol in ethanol and ethyl ether |
| SMILES | CCNC1=CC=CC(=C1)C |
| InChIKey | GUYMMHOQXYZMJQ-UHFFFAOYSA-N |
Chemical Property Profile of N-ethyl-3-methylaniline
Property Insights of N-ethyl-3-methylaniline
The XLogP value of 3.0 indicates that N-ethyl-3-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-ethyl-3-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethyl-3-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-ethyl-3-methylaniline?
The CAS number of N-ethyl-3-methylaniline is 102-27-2.
What is the molecular formula of N-ethyl-3-methylaniline?
The molecular formula of N-ethyl-3-methylaniline is C9H13N.
What is the molecular weight of N-ethyl-3-methylaniline?
The molecular weight of N-ethyl-3-methylaniline is 135.1048 g/mol.
Where can I buy N-ethyl-3-methylaniline?
You can request a quote for N-ethyl-3-methylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-ethyl-3-methylaniline?
Yes, CoreyChem provides custom synthesis services for N-ethyl-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.