N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine
TL;DR: N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine (CAS 80308-90-3) is a chemical compound with molecular formula C8H12N12O20 and molecular weight 596.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis[[nitro(2,2,2-trinitroethoxymethyl)amino]methyl]nitramide
Also Known As: N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine, N,N-bis[[nitro(2,2,2-trinitroethoxymethyl)amino]methyl]nitramide, N,N,N-Trinitrobis((((2-nitro-ethoxy)methyl)amino)-methyl)amine, N,N-bis((nitro((2,2,2-trinitroethoxy)methyl)amino)methyl)nitramide, N,N,N-Trinitrobis((((2,2,2-trinitro-ethoxy)methyl)amino)-methyl)amine
| Molecular Formula | C8H12N12O20 |
|---|---|
| Molecular Weight | 596.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 441.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 12 |
| Exact Mass | 596.02905 |
| Heavy Atoms | 40 |
| Complexity | 880.0 |
Chemical Identifiers
| CAS Number | 80308-90-3 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCN(CN(CN(COCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ISZOHMLIFYGPHQ-UHFFFAOYSA-N |
Product Overview
N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine (CAS 80308-90-3), with molecular formula C8H12N12O20 and molecular weight 596.03 g/mol. IUPAC: N,N-bis[[nitro(2,2,2-trinitroethoxymethyl)amino]methyl]nitramide.
Chemical Property Profile of N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine
Property Insights of N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine. The TPSA of 441.0 Ų indicates high polarity, suggesting N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine has 0 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine?
The CAS number of N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine is 80308-90-3.
What is the molecular formula of N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine?
The molecular formula of N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine is C8H12N12O20.
What is the molecular weight of N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine?
The molecular weight of N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine is 596.03 g/mol.
Where can I buy N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine?
You can request a quote for N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine?
Yes, KEHONG BIO provides custom synthesis services for N,N,N-Trinitrobis((((2,2,2-trinitroethoxy)methyl)amino)methyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.