N-Methyl-4-nitroaniline
TL;DR: N-Methyl-4-nitroaniline (CAS 100-15-2) is a chemical compound with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-nitroaniline
Also Known As: N-Methyl-4-nitroaniline, N-Methyl-p-nitroaniline, Benzenamine, N-methyl-4-nitro-, 4-Nitro-N-methylaniline, N-Methyl-p-nitraniline
| Molecular Formula | C7H8N2O2 |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.05858 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
| Melting Point | 152.2 °C |
| Boiling Point | Decomposes |
| Density | 1.201 at 155.0 °C |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Vapor Pressure | 0.00764 [mmHg] |
Chemical Identifiers
| CAS Number | 100-15-2 |
|---|---|
| SMILES | CNC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | XIFJZJPMHNUGRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methyl-4-nitroaniline (CAS 100-15-2), with molecular formula C7H8N2O2 and molecular weight 152.06 g/mol. IUPAC: N-methyl-4-nitroaniline.
Chemical Property Profile of N-Methyl-4-nitroaniline
Property Insights of N-Methyl-4-nitroaniline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-4-nitroaniline. With a topological polar surface area (TPSA) of 57.9 Ų, N-Methyl-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-4-nitroaniline 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-Methyl-4-nitroaniline?
The CAS number of N-Methyl-4-nitroaniline is 100-15-2.
What is the molecular formula of N-Methyl-4-nitroaniline?
The molecular formula of N-Methyl-4-nitroaniline is C7H8N2O2.
What is the molecular weight of N-Methyl-4-nitroaniline?
The molecular weight of N-Methyl-4-nitroaniline is 152.06 g/mol.
Where can I buy N-Methyl-4-nitroaniline?
You can request a quote for N-Methyl-4-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.