Ethanol, 2-(3-amino-4-nitrophenylamino)-
TL;DR: Ethanol, 2-(3-amino-4-nitrophenylamino)- (CAS 111861-02-0) is a chemical compound with molecular formula C8H11N3O3 and molecular weight 197.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-amino-4-nitroanilino)ethanol
Also Known As: 2-(3-Amino-4-nitroanilino)ethanol, 2-(3-Amino-4-nitroanilino)ethanol #, 2-((3-Amino-4-nitrophenyl)amino)ethan-1-ol, 2-[(3-amino-4-nitrophenyl)amino]-ethanol, Ethanol, 2-(3-amino-4-nitrophenylamino)-
| Molecular Formula | C8H11N3O3 |
|---|---|
| Molecular Weight | 197.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.08005 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 111861-02-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1NCCO)N)[N+](=O)[O-] |
| InChIKey | BQMGIXCIUJBQPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanol, 2-(3-amino-4-nitrophenylamino)- (CAS 111861-02-0), with molecular formula C8H11N3O3 and molecular weight 197.08 g/mol. IUPAC: 2-(3-amino-4-nitroanilino)ethanol.
Chemical Property Profile of Ethanol, 2-(3-amino-4-nitrophenylamino)-
Property Insights of Ethanol, 2-(3-amino-4-nitrophenylamino)-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-(3-amino-4-nitrophenylamino)-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2-(3-amino-4-nitrophenylamino)-. Following Lipinski's Rule of Five, Ethanol, 2-(3-amino-4-nitrophenylamino)- has 3 hydrogen bond donor(s) and 5 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 Ethanol, 2-(3-amino-4-nitrophenylamino)-?
The CAS number of Ethanol, 2-(3-amino-4-nitrophenylamino)- is 111861-02-0.
What is the molecular formula of Ethanol, 2-(3-amino-4-nitrophenylamino)-?
The molecular formula of Ethanol, 2-(3-amino-4-nitrophenylamino)- is C8H11N3O3.
What is the molecular weight of Ethanol, 2-(3-amino-4-nitrophenylamino)-?
The molecular weight of Ethanol, 2-(3-amino-4-nitrophenylamino)- is 197.08 g/mol.
Where can I buy Ethanol, 2-(3-amino-4-nitrophenylamino)-?
You can request a quote for Ethanol, 2-(3-amino-4-nitrophenylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-(3-amino-4-nitrophenylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-(3-amino-4-nitrophenylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.