1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine
TL;DR: 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine (CAS 132699-65-1) is a chemical compound with molecular formula C9H12N6O6 and molecular weight 300.08182 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine
Also Known As: J2.837.884J, 1,3,5-Trinitro-2,4,6-tris(methylamino)benzene, 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine, N,N',N''-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine, N1,N3,N5-TRIMETHYL-2,4,6-TRINITROBENZENE-1,3,5-TRIAMINE
Technical Specifications
| Molecular Formula | C9H12N6O6 |
| Molecular Weight | 300.08182 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 174.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.08182 Da |
| Heavy Atoms | 21 |
| Complexity | 337.0 |
| SMILES | CNC1=C(C(=C(C(=C1[N+](=O)[O-])NC)[N+](=O)[O-])NC)[N+](=O)[O-] |
| InChIKey | FTJDNUJCTGQSKC-UHFFFAOYSA-N |
Chemical Property Profile of 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine
Property Insights of 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine
The XLogP value of 3.0 indicates that 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine has 3 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 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine?
The CAS number of 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine is 132699-65-1.
What is the molecular formula of 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine?
The molecular formula of 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine is C9H12N6O6.
What is the molecular weight of 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine?
The molecular weight of 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine is 300.08182 g/mol.
Where can I buy 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine?
You can request a quote for 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine?
Yes, CoreyChem provides custom synthesis services for 1-N,3-N,5-N-trimethyl-2,4,6-trinitrobenzene-1,3,5-triamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.