2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1)
TL;DR: 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1) (CAS 100310-79-0) is a chemical compound with molecular formula C16H16N4O9 and molecular weight 408.09174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylazanium;2,4,6-trinitrophenolate
Also Known As: 1,4-BENZODIOXAN-2-ETHYLAMINE PICRATE, 2-(2-Aminoethyl)-1,4-benzodioxan, picrate, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethanaminium 2,4,6-trinitrophenolate, 2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylazanium,2,4,6-trinitrophenolate, 2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylazanium; 2,4,6-trinitrophenolate
Technical Specifications
| Molecular Formula | C16H16N4O9 |
| Molecular Weight | 408.09174 g/mol |
| XLogP | 0.94 |
| Topological Polar Surface Area (TPSA) | 207.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.09174 Da |
| Heavy Atoms | 29 |
| Complexity | 455.0 |
| SMILES | C1C(OC2=CC=CC=C2O1)CC[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PVGFPMNNROAMAK-UHFFFAOYSA-N |
Chemical Property Profile of 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1)
Property Insights of 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1)
The XLogP value of 0.94 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1). The TPSA of 207.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1) 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 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1)?
The CAS number of 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1) is 100310-79-0.
What is the molecular formula of 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1)?
The molecular formula of 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1) is C16H16N4O9.
What is the molecular weight of 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1)?
The molecular weight of 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1) is 408.09174 g/mol.
Where can I buy 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1)?
You can request a quote for 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1)?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Trinitrophenol--2-(2,3-dihydro-1,4-benzodioxin-2-yl)ethan-1-amine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.