N-(3-Nitrophenyl)-4-methylbenzylamine
TL;DR: N-(3-Nitrophenyl)-4-methylbenzylamine (CAS 91-39-4) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)methyl]-3-nitroaniline
Also Known As: n-(4-methylbenzyl)-3-nitroaniline, N-[(4-methylphenyl)methyl]-3-nitroaniline, 3-nitro-N-(p-tolylmethyl)aniline, N-(3-NITROPHENYL)-4-METHYLBENZYLAMINE, 653-761-1
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 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 | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 91-39-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | ANVKUDDLGAYXIW-UHFFFAOYSA-N |
Product Overview
N-(3-Nitrophenyl)-4-methylbenzylamine (CAS 91-39-4), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: N-[(4-methylphenyl)methyl]-3-nitroaniline.
Chemical Property Profile of N-(3-Nitrophenyl)-4-methylbenzylamine
Property Insights of N-(3-Nitrophenyl)-4-methylbenzylamine
The XLogP value of 3.6 indicates that N-(3-Nitrophenyl)-4-methylbenzylamine 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-(3-Nitrophenyl)-4-methylbenzylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Nitrophenyl)-4-methylbenzylamine 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-(3-Nitrophenyl)-4-methylbenzylamine?
The CAS number of N-(3-Nitrophenyl)-4-methylbenzylamine is 91-39-4.
What is the molecular formula of N-(3-Nitrophenyl)-4-methylbenzylamine?
The molecular formula of N-(3-Nitrophenyl)-4-methylbenzylamine is C14H14N2O2.
What is the molecular weight of N-(3-Nitrophenyl)-4-methylbenzylamine?
The molecular weight of N-(3-Nitrophenyl)-4-methylbenzylamine is 242.11 g/mol.
Where can I buy N-(3-Nitrophenyl)-4-methylbenzylamine?
You can request a quote for N-(3-Nitrophenyl)-4-methylbenzylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Nitrophenyl)-4-methylbenzylamine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Nitrophenyl)-4-methylbenzylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.