4-(2-Nitrobenzyl)morpholine
TL;DR: 4-(2-Nitrobenzyl)morpholine (CAS 67589-21-3) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-nitrophenyl)methyl]morpholine
Also Known As: 4-(2-NITROBENZYL)MORPHOLINE, 4-[(2-nitrophenyl)methyl]morpholine, 4-(o-Nitrobenzyl)morpholine, 0407AC, J1.708.522K
| Molecular Formula | C11H14N2O3 |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.10045 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 67589-21-3 |
|---|---|
| SMILES | C1COCCN1CC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | PIIFPIILUANPKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Nitrobenzyl)morpholine (CAS 67589-21-3), with molecular formula C11H14N2O3 and molecular weight 222.10 g/mol. IUPAC: 4-[(2-nitrophenyl)methyl]morpholine.
Chemical Property Profile of 4-(2-Nitrobenzyl)morpholine
Property Insights of 4-(2-Nitrobenzyl)morpholine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Nitrobenzyl)morpholine. With a topological polar surface area (TPSA) of 58.3 Ų, 4-(2-Nitrobenzyl)morpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Nitrobenzyl)morpholine has 0 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 4-(2-Nitrobenzyl)morpholine?
The CAS number of 4-(2-Nitrobenzyl)morpholine is 67589-21-3.
What is the molecular formula of 4-(2-Nitrobenzyl)morpholine?
The molecular formula of 4-(2-Nitrobenzyl)morpholine is C11H14N2O3.
What is the molecular weight of 4-(2-Nitrobenzyl)morpholine?
The molecular weight of 4-(2-Nitrobenzyl)morpholine is 222.10 g/mol.
Where can I buy 4-(2-Nitrobenzyl)morpholine?
You can request a quote for 4-(2-Nitrobenzyl)morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Nitrobenzyl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Nitrobenzyl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.