Benzenemethanamine, N-(2,4,6-trinitrophenyl)-
TL;DR: Benzenemethanamine, N-(2,4,6-trinitrophenyl)- (CAS 40122-56-3) is a chemical compound with molecular formula C13H10N4O6 and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2,4,6-trinitroaniline
Also Known As: N-PHENETHYLPICRYLAMINE, N-PICRYLBENZYLAMINE, N-benzyl-2,4,6-trinitroaniline, Benzenemethanamine, N-(2,4,6-trinitrophenyl)-, benzyl(2,4,6-trinitrophenyl)amine
| Molecular Formula | C13H10N4O6 |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 3.0233 |
| Topological Polar Surface Area | 141.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.06003 |
| Heavy Atoms | 23 |
| Complexity | 742.28424 |
Chemical Identifiers
| CAS Number | 40122-56-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
Benzenemethanamine, N-(2,4,6-trinitrophenyl)- (CAS 40122-56-3), with molecular formula C13H10N4O6 and molecular weight 318.06 g/mol. IUPAC: N-benzyl-2,4,6-trinitroaniline.
Chemical Property Profile of Benzenemethanamine, N-(2,4,6-trinitrophenyl)-
Property Insights of Benzenemethanamine, N-(2,4,6-trinitrophenyl)-
The XLogP value of 3.0233 indicates that Benzenemethanamine, N-(2,4,6-trinitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.45 Ų indicates high polarity, suggesting Benzenemethanamine, N-(2,4,6-trinitrophenyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzenemethanamine, N-(2,4,6-trinitrophenyl)- has 1 hydrogen bond donor(s) and 7 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 Benzenemethanamine, N-(2,4,6-trinitrophenyl)-?
The CAS number of Benzenemethanamine, N-(2,4,6-trinitrophenyl)- is 40122-56-3.
What is the molecular formula of Benzenemethanamine, N-(2,4,6-trinitrophenyl)-?
The molecular formula of Benzenemethanamine, N-(2,4,6-trinitrophenyl)- is C13H10N4O6.
What is the molecular weight of Benzenemethanamine, N-(2,4,6-trinitrophenyl)-?
The molecular weight of Benzenemethanamine, N-(2,4,6-trinitrophenyl)- is 318.06 g/mol.
Where can I buy Benzenemethanamine, N-(2,4,6-trinitrophenyl)-?
You can request a quote for Benzenemethanamine, N-(2,4,6-trinitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanamine, N-(2,4,6-trinitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanamine, N-(2,4,6-trinitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.