![N-[(4-nitrophenyl)methyl]aniline structure](/static/products/1035/10359-18-9.webp)
N-[(4-nitrophenyl)methyl]aniline
TL;DR: N-[(4-nitrophenyl)methyl]aniline (CAS 10359-18-9) 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-[(4-nitrophenyl)methyl]aniline
Also Known As: N-[(4-nitrophenyl)methyl]aniline, N-(4-nitrobenzyl)aniline, 4-nitrobenzylaniline, 4-Nitro-N-phenylbenzenemethanamine, N-Phenyl-p-nitrobenzylamine
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 3.0 |
| 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 | 238.0 |
Chemical Identifiers
| CAS Number | 10359-18-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | BFPIOTHCNQDBNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-[(4-nitrophenyl)methyl]aniline (CAS 10359-18-9), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: N-[(4-nitrophenyl)methyl]aniline.
Chemical Property Profile of N-[(4-nitrophenyl)methyl]aniline
Property Insights of N-[(4-nitrophenyl)methyl]aniline
The XLogP value of 3.0 indicates that N-[(4-nitrophenyl)methyl]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-[(4-nitrophenyl)methyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-nitrophenyl)methyl]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-[(4-nitrophenyl)methyl]aniline?
The CAS number of N-[(4-nitrophenyl)methyl]aniline is 10359-18-9.
What is the molecular formula of N-[(4-nitrophenyl)methyl]aniline?
The molecular formula of N-[(4-nitrophenyl)methyl]aniline is C13H12N2O2.
What is the molecular weight of N-[(4-nitrophenyl)methyl]aniline?
The molecular weight of N-[(4-nitrophenyl)methyl]aniline is 228.09 g/mol.
Where can I buy N-[(4-nitrophenyl)methyl]aniline?
You can request a quote for N-[(4-nitrophenyl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-nitrophenyl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-nitrophenyl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.