Diethylamine, 2,2'-dichloro-N-ethyl-, picrate
TL;DR: Diethylamine, 2,2'-dichloro-N-ethyl-, picrate (CAS 63915-56-0) is a chemical compound with molecular formula C12H16Cl2N4O7 and molecular weight 398.0396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-chloroethyl)-ethylazanium;2,4,6-trinitrophenolate
Also Known As: Ethyl-di-(beta-chloroethyl)ammonium picrate, Ammonium, ethyl-di-(beta-chloroethyl)-, picrate, DIETHYLAMINE, 2,2'-DICHLORO-N-ETHYL-, PICRATE, bis(2-chloroethyl)-ethylazanium; 2,4,6-trinitrophenolate, 2-Chloro-N-(2-chloroethyl)-N-ethylethan-1-aminium 2,4,6-trinitrophenolate
Technical Specifications
| Molecular Formula | C12H16Cl2N4O7 |
| Molecular Weight | 398.0396 g/mol |
| XLogP | 0.85 |
| Topological Polar Surface Area (TPSA) | 165.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.0396 Da |
| Heavy Atoms | 25 |
| Complexity | 345.0 |
| SMILES | CC[NH+](CCCl)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XNRVGQGUJOFEDM-UHFFFAOYSA-N |
Chemical Property Profile of Diethylamine, 2,2'-dichloro-N-ethyl-, picrate
Property Insights of Diethylamine, 2,2'-dichloro-N-ethyl-, picrate
The XLogP value of 0.85 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethylamine, 2,2'-dichloro-N-ethyl-, picrate. The TPSA of 165.0 Ų indicates high polarity, suggesting Diethylamine, 2,2'-dichloro-N-ethyl-, picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethylamine, 2,2'-dichloro-N-ethyl-, picrate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethylamine, 2,2'-dichloro-N-ethyl-, picrate?
The CAS number of Diethylamine, 2,2'-dichloro-N-ethyl-, picrate is 63915-56-0.
What is the molecular formula of Diethylamine, 2,2'-dichloro-N-ethyl-, picrate?
The molecular formula of Diethylamine, 2,2'-dichloro-N-ethyl-, picrate is C12H16Cl2N4O7.
What is the molecular weight of Diethylamine, 2,2'-dichloro-N-ethyl-, picrate?
The molecular weight of Diethylamine, 2,2'-dichloro-N-ethyl-, picrate is 398.0396 g/mol.
Where can I buy Diethylamine, 2,2'-dichloro-N-ethyl-, picrate?
You can request a quote for Diethylamine, 2,2'-dichloro-N-ethyl-, picrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethylamine, 2,2'-dichloro-N-ethyl-, picrate?
Yes, CoreyChem provides custom synthesis services for Diethylamine, 2,2'-dichloro-N-ethyl-, picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.