N-(2-nitrobenzyl)aniline
TL;DR: N-(2-nitrobenzyl)aniline (CAS 33331-19-0) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-nitrophenyl)methyl]aniline
Also Known As: N-(2-nitrobenzyl)aniline, N-[(2-nitrophenyl)methyl]aniline, N-(O-Nitrobenzyl)aniline, N-Phenyl-2-nitrobenzylamine, (2-Nitro-benzyl)-phenyl-amine
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 33331-19-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | YQNDTDFMUIYCKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-nitrobenzyl)aniline (CAS 33331-19-0), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: N-[(2-nitrophenyl)methyl]aniline.
Chemical Property Profile of N-(2-nitrobenzyl)aniline
Property Insights of N-(2-nitrobenzyl)aniline
The XLogP value of 3.6 indicates that N-(2-nitrobenzyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, N-(2-nitrobenzyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-nitrobenzyl)aniline has 1 hydrogen bond donor(s) and 3 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-(2-nitrobenzyl)aniline?
The CAS number of N-(2-nitrobenzyl)aniline is 33331-19-0.
What is the molecular formula of N-(2-nitrobenzyl)aniline?
The molecular formula of N-(2-nitrobenzyl)aniline is C13H12N2O2.
What is the molecular weight of N-(2-nitrobenzyl)aniline?
The molecular weight of N-(2-nitrobenzyl)aniline is 228.09 g/mol.
Where can I buy N-(2-nitrobenzyl)aniline?
You can request a quote for N-(2-nitrobenzyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-nitrobenzyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-nitrobenzyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.