Bis(2,2,2-trinitroethyl)amine
TL;DR: Bis(2,2,2-trinitroethyl)amine (CAS 34880-53-0) is a chemical compound with molecular formula C4H5N7O12 and molecular weight 343.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trinitro-N-(2,2,2-trinitroethyl)ethanamine
Also Known As: Bis(2,2,2-trinitroethyl)amine, Ex037, Bis(2,2,2-trinitroethyl)-amine, 2,2,2-trinitro-N-(2,2,2-trinitroethyl)ethanamine, 2,2,2-Trinitro-N-(2,2,2-trinitroethyl)-ethanamine
| Molecular Formula | C4H5N7O12 |
|---|---|
| Molecular Weight | 343.00 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 287.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.99963 |
| Heavy Atoms | 23 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 34880-53-0 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HCQOJHQSPRZMIO-UHFFFAOYSA-N |
Product Overview
Bis(2,2,2-trinitroethyl)amine (CAS 34880-53-0), with molecular formula C4H5N7O12 and molecular weight 343.00 g/mol. IUPAC: 2,2,2-trinitro-N-(2,2,2-trinitroethyl)ethanamine.
Chemical Property Profile of Bis(2,2,2-trinitroethyl)amine
Property Insights of Bis(2,2,2-trinitroethyl)amine
The XLogP value of -0.6 indicates that Bis(2,2,2-trinitroethyl)amine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 287.0 Ų indicates high polarity, suggesting Bis(2,2,2-trinitroethyl)amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(2,2,2-trinitroethyl)amine has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2,2,2-trinitroethyl)amine?
The CAS number of Bis(2,2,2-trinitroethyl)amine is 34880-53-0.
What is the molecular formula of Bis(2,2,2-trinitroethyl)amine?
The molecular formula of Bis(2,2,2-trinitroethyl)amine is C4H5N7O12.
What is the molecular weight of Bis(2,2,2-trinitroethyl)amine?
The molecular weight of Bis(2,2,2-trinitroethyl)amine is 343.00 g/mol.
Where can I buy Bis(2,2,2-trinitroethyl)amine?
You can request a quote for Bis(2,2,2-trinitroethyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2,2,2-trinitroethyl)amine?
Yes, KEHONG BIO provides custom synthesis services for Bis(2,2,2-trinitroethyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.