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 152.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.05858 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.05858 Da |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
| Melting Point | 306 °F (NTP, 1992) |
| Boiling Point | Decomposes (NTP, 1992) |
| Density | 1.201 at 311 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.00764 [mmHg] |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | CNC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | XIFJZJPMHNUGRA-UHFFFAOYSA-N |
Product Description
Applications: N-Methyl-4-nitroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies N-Methyl-4-nitroaniline (CAS 100-15-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
N-Methyl-4-nitroaniline is a heterocyclic building block identified by CAS number 100-15-2 and the molecular formula C7H8N2O2 and a molecular weight of 152.06 g/mol. Physically, the compound has a density of 1.201 at 311 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). It is also known as N-Methyl-4-nitroaniline and N-Methyl-p-nitroaniline.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 152.05858 g/mol.
What are the applications of N-Methyl-4-nitroaniline?
N-Methyl-4-nitroaniline is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies N-Methyl-4-nitroaniline (CAS...
Where can I buy N-Methyl-4-nitroaniline?
You can request a quote for N-Methyl-4-nitroaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Methyl-4-nitroaniline?
Yes, CoreyChem provides custom synthesis services for N-Methyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.