N,N-Diethylaniline
TL;DR: N,N-Diethylaniline (CAS 91-66-7) is a chemical compound with molecular formula C10H15N and molecular weight 149.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-diethylaniline
Also Known As: N,N-DIETHYLANILINE, Diethylaniline, Diethylphenylamine, Diaethylanilin, N,N-Diethylanilin
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H15N |
| Molecular Weight | 149.12045 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.12045 Da |
| Heavy Atoms | 11 |
| Complexity | 91.0 |
| Melting Point | -37.8 °F (NTP, 1992) |
| Boiling Point | 419.9 °F at 760 mmHg ; 198 °F at 10 mmHg (NTP, 1992) |
| Density | 0.906 (USCG, 1999) - Less dense than water; will float |
| Flash Point | 185 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 121.5 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.5409 @ 20 °C/D |
| Solubility | less than 1 mg/mL at 76.1 °F (NTP, 1992) |
| SMILES | CCN(CC)C1=CC=CC=C1 |
| InChIKey | GGSUCNLOZRCGPQ-UHFFFAOYSA-N |
Product Description
Applications: N,N-Diethylaniline 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. CoreyChem supplies N,N-Diethylaniline (CAS 91-66-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, N,N-Diethylaniline (CAS 91-66-7) has the molecular formula C10H15N and a molecular weight of 149.12 g/mol. Reported properties include a density of 0.906 (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 76.1 °F (NTP, 1992). It is also known as N,N-DIETHYLANILINE and Diethylaniline.
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,N-Diethylaniline
Property Insights of N,N-Diethylaniline
The XLogP value of 3.3 indicates that N,N-Diethylaniline 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-Diethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethylaniline 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
What is the CAS number of N,N-Diethylaniline?
The CAS number of N,N-Diethylaniline is 91-66-7.
What is the molecular formula of N,N-Diethylaniline?
The molecular formula of N,N-Diethylaniline is C10H15N.
What is the molecular weight of N,N-Diethylaniline?
The molecular weight of N,N-Diethylaniline is 149.12045 g/mol.
What are the applications of N,N-Diethylaniline?
N,N-Diethylaniline 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. CoreyChem supplies N,N-Diethylaniline (CAS 91-66-7)...
Where can I buy N,N-Diethylaniline?
You can request a quote for N,N-Diethylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N-Diethylaniline?
Yes, CoreyChem provides custom synthesis services for N,N-Diethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.