4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline
TL;DR: 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline (CAS 52487-30-6) is a chemical compound with molecular formula C9H8ClN5O8 and molecular weight 349.00613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline
Also Known As: 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline, 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitro-aniline
Technical Specifications
| Molecular Formula | C9H8ClN5O8 |
| Molecular Weight | 349.00613 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 195.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.00613 Da |
| Heavy Atoms | 23 |
| Complexity | 470.0 |
| SMILES | CC(CNC1=C(C=C(C=C1[N+](=O)[O-])Cl)[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HPCSAHLQELCDCV-UHFFFAOYSA-N |
Chemical Property Profile of 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline
Property Insights of 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline. The TPSA of 195.0 Ų indicates high polarity, suggesting 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline?
The CAS number of 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline is 52487-30-6.
What is the molecular formula of 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline?
The molecular formula of 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline is C9H8ClN5O8.
What is the molecular weight of 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline?
The molecular weight of 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline is 349.00613 g/mol.
Where can I buy 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline?
You can request a quote for 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline?
Yes, CoreyChem provides custom synthesis services for 4-chloro-N-(2,2-dinitropropyl)-2,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.