N-Ethyl-2-methyl-4-nitroaniline
TL;DR: N-Ethyl-2-methyl-4-nitroaniline (CAS 88374-25-8) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-2-methyl-4-nitroaniline
Also Known As: N-ethyl-2-methyl-4-nitroaniline, benzenamine, N-ethyl-2-methyl-4-nitro-, 4-Nitro-2-methyl-N-ethylaniline, N-ethyl-2-methyl-4-nitro-aniline, benzenamine,N-ethyl-2-methyl-4-nitro
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 88374-25-8 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1)[N+](=O)[O-])C |
| InChIKey | AIZFIOAJOLYZST-UHFFFAOYSA-N |
Product Overview
N-Ethyl-2-methyl-4-nitroaniline (CAS 88374-25-8), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: N-ethyl-2-methyl-4-nitroaniline.
Chemical Property Profile of N-Ethyl-2-methyl-4-nitroaniline
Property Insights of N-Ethyl-2-methyl-4-nitroaniline
The XLogP value of 3.1 indicates that N-Ethyl-2-methyl-4-nitroaniline 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-Ethyl-2-methyl-4-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Ethyl-2-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-Ethyl-2-methyl-4-nitroaniline?
The CAS number of N-Ethyl-2-methyl-4-nitroaniline is 88374-25-8.
What is the molecular formula of N-Ethyl-2-methyl-4-nitroaniline?
The molecular formula of N-Ethyl-2-methyl-4-nitroaniline is C9H12N2O2.
What is the molecular weight of N-Ethyl-2-methyl-4-nitroaniline?
The molecular weight of N-Ethyl-2-methyl-4-nitroaniline is 180.09 g/mol.
Where can I buy N-Ethyl-2-methyl-4-nitroaniline?
You can request a quote for N-Ethyl-2-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-Ethyl-2-methyl-4-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-2-methyl-4-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.