N,N-diethyl-m-toluidine
TL;DR: N,N-diethyl-m-toluidine (CAS 91-67-8) is a chemical compound with molecular formula C11H17N and molecular weight 163.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-3-methylaniline
Also Known As: N,N-Diethyl-m-toluidine, N,N-Diethyl-3-methylaniline, 3-(Diethylamino)toluene, 3-Diethylaminotoluene, Benzalacetophenone
| Molecular Formula | C11H17N |
|---|---|
| Molecular Weight | 163.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.1361 |
| Heavy Atoms | 12 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 91-67-8 |
|---|---|
| SMILES | CCN(CC)C1=CC=CC(=C1)C |
| InChIKey | CIPVVROJHKLHJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-diethyl-m-toluidine (CAS 91-67-8), with molecular formula C11H17N and molecular weight 163.14 g/mol. IUPAC: N,N-diethyl-3-methylaniline.
Chemical Property Profile of N,N-diethyl-m-toluidine
Property Insights of N,N-diethyl-m-toluidine
The XLogP value of 3.5 indicates that N,N-diethyl-m-toluidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, N,N-diethyl-m-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethyl-m-toluidine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N-diethyl-m-toluidine?
The CAS number of N,N-diethyl-m-toluidine is 91-67-8.
What is the molecular formula of N,N-diethyl-m-toluidine?
The molecular formula of N,N-diethyl-m-toluidine is C11H17N.
What is the molecular weight of N,N-diethyl-m-toluidine?
The molecular weight of N,N-diethyl-m-toluidine is 163.14 g/mol.
Where can I buy N,N-diethyl-m-toluidine?
You can request a quote for N,N-diethyl-m-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-m-toluidine?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-m-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.