N-(4-nitrobenzyl)ethanamine
TL;DR: N-(4-nitrobenzyl)ethanamine (CAS 17847-35-7) 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-[(4-nitrophenyl)methyl]ethanamine
Also Known As: N-(4-nitrobenzyl)ethanamine, Ethyl-(4-nitro-benzyl)-amine, ethyl-4-nitro-benzylamine, N-[(4-nitrophenyl)methyl]ethanamine, ethyl (4-nitrobenzyl)amine
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 1.7043 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 282.1711 |
Chemical Identifiers
| CAS Number | 17847-35-7 |
|---|---|
| SMILES | CCNCC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
N-(4-nitrobenzyl)ethanamine (CAS 17847-35-7), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: N-[(4-nitrophenyl)methyl]ethanamine.
Chemical Property Profile of N-(4-nitrobenzyl)ethanamine
Property Insights of N-(4-nitrobenzyl)ethanamine
The XLogP value of 1.7043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-nitrobenzyl)ethanamine. With a topological polar surface area (TPSA) of 55.17 Ų, N-(4-nitrobenzyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-nitrobenzyl)ethanamine 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 N-(4-nitrobenzyl)ethanamine?
The CAS number of N-(4-nitrobenzyl)ethanamine is 17847-35-7.
What is the molecular formula of N-(4-nitrobenzyl)ethanamine?
The molecular formula of N-(4-nitrobenzyl)ethanamine is C9H12N2O2.
What is the molecular weight of N-(4-nitrobenzyl)ethanamine?
The molecular weight of N-(4-nitrobenzyl)ethanamine is 180.09 g/mol.
Where can I buy N-(4-nitrobenzyl)ethanamine?
You can request a quote for N-(4-nitrobenzyl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-nitrobenzyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-nitrobenzyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.