Diethyl(3-nitrobenzyl)amine
TL;DR: Diethyl(3-nitrobenzyl)amine (CAS 27958-92-5) is a chemical compound with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-N-[(3-nitrophenyl)methyl]ethanamine
Also Known As: diethyl(3-nitrobenzyl)amine, diethyl[(3-nitrophenyl)methyl]amine, diethyl-(3-nitrobenzyl)-amine, diethyl(3-nitrobenzyl)amine hydrobromide, N-ethyl-N-(3-nitrobenzyl)ethanamine
| Molecular Formula | C11H16N2O2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 2.4366 |
| Topological Polar Surface Area | 46.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.12119 |
| Heavy Atoms | 15 |
| Complexity | 335.11475 |
Chemical Identifiers
| CAS Number | 27958-92-5 |
|---|---|
| SMILES | CCN(CC)CC1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
Diethyl(3-nitrobenzyl)amine (CAS 27958-92-5), with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol. IUPAC: N-ethyl-N-[(3-nitrophenyl)methyl]ethanamine.
Chemical Property Profile of Diethyl(3-nitrobenzyl)amine
Property Insights of Diethyl(3-nitrobenzyl)amine
The XLogP value of 2.4366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(3-nitrobenzyl)amine. With a topological polar surface area (TPSA) of 46.38 Ų, Diethyl(3-nitrobenzyl)amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl(3-nitrobenzyl)amine has 0 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 Diethyl(3-nitrobenzyl)amine?
The CAS number of Diethyl(3-nitrobenzyl)amine is 27958-92-5.
What is the molecular formula of Diethyl(3-nitrobenzyl)amine?
The molecular formula of Diethyl(3-nitrobenzyl)amine is C11H16N2O2.
What is the molecular weight of Diethyl(3-nitrobenzyl)amine?
The molecular weight of Diethyl(3-nitrobenzyl)amine is 208.12 g/mol.
Where can I buy Diethyl(3-nitrobenzyl)amine?
You can request a quote for Diethyl(3-nitrobenzyl)amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(3-nitrobenzyl)amine?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(3-nitrobenzyl)amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.