N,N,4-trimethylaniline;2,4,6-trinitrophenol
TL;DR: N,N,4-trimethylaniline;2,4,6-trinitrophenol (CAS 2739-11-9) is a chemical compound with molecular formula C15H16N4O7 and molecular weight 364.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N,4-trimethylaniline;2,4,6-trinitrophenol
Also Known As: N,N,4-TRIMETHYLANILINE, N,N,4-trimethylaniline;2,4,6-trinitrophenol, 2,4,6-trinitrophenol- n,n,4-trimethylaniline(1:1), N,N,4-trimethylaniline; 2,4,6-trinitrophenol, 2,4,6-Trinitrophenol--N,N,4-trimethylaniline (1/1)
| Molecular Formula | C15H16N4O7 |
|---|---|
| Molecular Weight | 364.10 g/mol |
| LogP | 3.17782 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.1019 |
| Heavy Atoms | 26 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 2739-11-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DDZGMHKDCZURIW-UHFFFAOYSA-N |
Product Overview
N,N,4-trimethylaniline;2,4,6-trinitrophenol (CAS 2739-11-9), with molecular formula C15H16N4O7 and molecular weight 364.10 g/mol. IUPAC: N,N,4-trimethylaniline;2,4,6-trinitrophenol.
Chemical Property Profile of N,N,4-trimethylaniline;2,4,6-trinitrophenol
Property Insights of N,N,4-trimethylaniline;2,4,6-trinitrophenol
The XLogP value of 3.17782 indicates that N,N,4-trimethylaniline;2,4,6-trinitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting N,N,4-trimethylaniline;2,4,6-trinitrophenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N,4-trimethylaniline;2,4,6-trinitrophenol has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N,N,4-trimethylaniline;2,4,6-trinitrophenol?
The CAS number of N,N,4-trimethylaniline;2,4,6-trinitrophenol is 2739-11-9.
What is the molecular formula of N,N,4-trimethylaniline;2,4,6-trinitrophenol?
The molecular formula of N,N,4-trimethylaniline;2,4,6-trinitrophenol is C15H16N4O7.
What is the molecular weight of N,N,4-trimethylaniline;2,4,6-trinitrophenol?
The molecular weight of N,N,4-trimethylaniline;2,4,6-trinitrophenol is 364.10 g/mol.
Where can I buy N,N,4-trimethylaniline;2,4,6-trinitrophenol?
You can request a quote for N,N,4-trimethylaniline;2,4,6-trinitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,4-trimethylaniline;2,4,6-trinitrophenol?
Yes, KEHONG BIO provides custom synthesis services for N,N,4-trimethylaniline;2,4,6-trinitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.