N,N-Diethyl-p-toluamide
TL;DR: N,N-Diethyl-p-toluamide (CAS 2728-05-4) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-methylbenzamide
Also Known As: N,N-Diethyl-p-toluamide, N,N-Diethyl-4-methylbenzamide, p-DETA, Benzamide, N,N-diethyl-4-methyl-, p-DEET
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 2728-05-4 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC=C(C=C1)C |
| InChIKey | PUZORFQMRDHKBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diethyl-p-toluamide (CAS 2728-05-4), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: N,N-diethyl-4-methylbenzamide.
Chemical Property Profile of N,N-Diethyl-p-toluamide
Property Insights of N,N-Diethyl-p-toluamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Diethyl-p-toluamide. With a topological polar surface area (TPSA) of 20.3 Ų, N,N-Diethyl-p-toluamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Diethyl-p-toluamide 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-p-toluamide?
The CAS number of N,N-Diethyl-p-toluamide is 2728-05-4.
What is the molecular formula of N,N-Diethyl-p-toluamide?
The molecular formula of N,N-Diethyl-p-toluamide is C12H17NO.
What is the molecular weight of N,N-Diethyl-p-toluamide?
The molecular weight of N,N-Diethyl-p-toluamide is 191.13 g/mol.
Where can I buy N,N-Diethyl-p-toluamide?
You can request a quote for N,N-Diethyl-p-toluamide 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-p-toluamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diethyl-p-toluamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.