2-Ethylamino-4-nitrotoluene
TL;DR: 2-Ethylamino-4-nitrotoluene (CAS 56288-95-0) 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-5-nitroaniline
Also Known As: N-Ethyl-5-nitro-o-toluidine, N-Ethyl-2-methyl-5-nitroaniline, 2-Ethylamino-4-nitrotoluene, Benzenamine, N-ethyl-2-methyl-5-nitro-, n-methyl-5-nitro-o-toluidine
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 2.9 |
| 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 | 56288-95-0 |
|---|---|
| SMILES | CCNC1=C(C=CC(=C1)[N+](=O)[O-])C |
| InChIKey | JGBJNRPKVSUFSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylamino-4-nitrotoluene (CAS 56288-95-0), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: N-ethyl-2-methyl-5-nitroaniline.
Chemical Property Profile of 2-Ethylamino-4-nitrotoluene
Property Insights of 2-Ethylamino-4-nitrotoluene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylamino-4-nitrotoluene. With a topological polar surface area (TPSA) of 57.9 Ų, 2-Ethylamino-4-nitrotoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylamino-4-nitrotoluene 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 2-Ethylamino-4-nitrotoluene?
The CAS number of 2-Ethylamino-4-nitrotoluene is 56288-95-0.
What is the molecular formula of 2-Ethylamino-4-nitrotoluene?
The molecular formula of 2-Ethylamino-4-nitrotoluene is C9H12N2O2.
What is the molecular weight of 2-Ethylamino-4-nitrotoluene?
The molecular weight of 2-Ethylamino-4-nitrotoluene is 180.09 g/mol.
Where can I buy 2-Ethylamino-4-nitrotoluene?
You can request a quote for 2-Ethylamino-4-nitrotoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylamino-4-nitrotoluene?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylamino-4-nitrotoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.