Dipicrylamine
TL;DR: Dipicrylamine (CAS 131-73-7) is a chemical compound with molecular formula C12H5N7O12 and molecular weight 438.99963 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
Also Known As: Dipicrylamine, Hexyl, Aurantia, Hexamine, Hexanitrodiphenylamine
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H5N7O12 |
| Molecular Weight | 438.99963 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 287.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.99963 Da |
| Heavy Atoms | 31 |
| Complexity | 662.0 |
| Melting Point | 244 °C (decomposes) |
| Solubility | Soluble in alkalies, glacial acetic acid; insoluble in acetone, alcohol, ether |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CBCIHIVRDWLAME-UHFFFAOYSA-N |
Product Description
Applications: Dipicrylamine is used in analytical chemistry as a reagent, standard, or reference material, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Dipicrylamine is a analytical reagent identified by CAS number 131-73-7 and the molecular formula C12H5N7O12 and a molecular weight of 439 g/mol. Physically, the compound has a solubility: Soluble in alkalies, glacial acetic acid; insoluble in acetone, alcohol, ether. Synonyms include Dipicrylamine and Hexyl.
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 Dipicrylamine
Property Insights of Dipicrylamine
The XLogP value of 3.0 indicates that Dipicrylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 287.0 Ų indicates high polarity, suggesting Dipicrylamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dipicrylamine has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dipicrylamine?
The CAS number of Dipicrylamine is 131-73-7.
What is the molecular formula of Dipicrylamine?
The molecular formula of Dipicrylamine is C12H5N7O12.
What is the molecular weight of Dipicrylamine?
The molecular weight of Dipicrylamine is 438.99963 g/mol.
What are the applications of Dipicrylamine?
Dipicrylamine is used in analytical chemistry as a reagent, standard, or reference material, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy Dipicrylamine?
You can request a quote for Dipicrylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dipicrylamine?
Yes, CoreyChem provides custom synthesis services for Dipicrylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.