2,4,6-Trinitrophenol-n-methylaniline(1:1)
TL;DR: 2,4,6-Trinitrophenol-n-methylaniline(1:1) (CAS 15000-97-2) is a chemical compound with molecular formula C13H12N4O7 and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methylaniline;2,4,6-trinitrophenol
Also Known As: N-methylaniline picrate, N-Methyl-anilin,Picrat, N-methylaniline,2,4,6-trinitrophenol, 2,4,6-trinitrophenol- n-methylaniline(1:1), N-methylaniline; 2,4,6-trinitrophenol
| Molecular Formula | C13H12N4O7 |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 2.8451 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.0706 |
| Heavy Atoms | 24 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 15000-97-2 |
|---|---|
| SMILES | CNC1=CC=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IJKRIDJKDLQYNK-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitrophenol-n-methylaniline(1:1) (CAS 15000-97-2), with molecular formula C13H12N4O7 and molecular weight 336.07 g/mol. IUPAC: N-methylaniline;2,4,6-trinitrophenol.
Chemical Property Profile of 2,4,6-Trinitrophenol-n-methylaniline(1:1)
Property Insights of 2,4,6-Trinitrophenol-n-methylaniline(1:1)
The XLogP value of 2.8451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitrophenol-n-methylaniline(1:1). The TPSA of 170.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrophenol-n-methylaniline(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenol-n-methylaniline(1:1) has 2 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 2,4,6-Trinitrophenol-n-methylaniline(1:1)?
The CAS number of 2,4,6-Trinitrophenol-n-methylaniline(1:1) is 15000-97-2.
What is the molecular formula of 2,4,6-Trinitrophenol-n-methylaniline(1:1)?
The molecular formula of 2,4,6-Trinitrophenol-n-methylaniline(1:1) is C13H12N4O7.
What is the molecular weight of 2,4,6-Trinitrophenol-n-methylaniline(1:1)?
The molecular weight of 2,4,6-Trinitrophenol-n-methylaniline(1:1) is 336.07 g/mol.
Where can I buy 2,4,6-Trinitrophenol-n-methylaniline(1:1)?
You can request a quote for 2,4,6-Trinitrophenol-n-methylaniline(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrophenol-n-methylaniline(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrophenol-n-methylaniline(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.