O-(4-nitrobenzyl)hydroxylamine
TL;DR: O-(4-nitrobenzyl)hydroxylamine (CAS 1944-96-3) is a chemical compound with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[(4-nitrophenyl)methyl]hydroxylamine
Also Known As: O-(4-nitrobenzyl)hydroxylamine, Nbha, 4-Nitrobenzyloxyamine, p-nitrobenzyloxyamine, NCIOpen2_004526
| Molecular Formula | C7H8N2O3 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0535 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 1944-96-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CON)[N+](=O)[O-] |
| InChIKey | OJYSJFUYARGLPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-(4-nitrobenzyl)hydroxylamine (CAS 1944-96-3), with molecular formula C7H8N2O3 and molecular weight 168.05 g/mol. IUPAC: O-[(4-nitrophenyl)methyl]hydroxylamine.
Chemical Property Profile of O-(4-nitrobenzyl)hydroxylamine
Property Insights of O-(4-nitrobenzyl)hydroxylamine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(4-nitrobenzyl)hydroxylamine. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(4-nitrobenzyl)hydroxylamine. Following Lipinski's Rule of Five, O-(4-nitrobenzyl)hydroxylamine has 1 hydrogen bond donor(s) and 4 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 O-(4-nitrobenzyl)hydroxylamine?
The CAS number of O-(4-nitrobenzyl)hydroxylamine is 1944-96-3.
What is the molecular formula of O-(4-nitrobenzyl)hydroxylamine?
The molecular formula of O-(4-nitrobenzyl)hydroxylamine is C7H8N2O3.
What is the molecular weight of O-(4-nitrobenzyl)hydroxylamine?
The molecular weight of O-(4-nitrobenzyl)hydroxylamine is 168.05 g/mol.
Where can I buy O-(4-nitrobenzyl)hydroxylamine?
You can request a quote for O-(4-nitrobenzyl)hydroxylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(4-nitrobenzyl)hydroxylamine?
Yes, KEHONG BIO provides custom synthesis services for O-(4-nitrobenzyl)hydroxylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.