N-(3-Nitrobenzylidene)aniline
TL;DR: N-(3-Nitrobenzylidene)aniline (CAS 178980-66-0) is a chemical compound with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-N-phenylmethanimine
Also Known As: 3-Nitrobenzal-anilin, N-(3-Nitrobenzylidene)aniline, N-(m-nitrobenzylidene)aniline, 3-Nitro-N-phenylbenzenemethanimine, N-Phenyl-3-nitrobenzenemethanimine
| Molecular Formula | C13H10N2O2 |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.07423 |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 178980-66-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | FJAUVLILDZGNSX-UHFFFAOYSA-N |
Product Overview
N-(3-Nitrobenzylidene)aniline (CAS 178980-66-0), with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol. IUPAC: 1-(3-nitrophenyl)-N-phenylmethanimine.
Chemical Property Profile of N-(3-Nitrobenzylidene)aniline
Property Insights of N-(3-Nitrobenzylidene)aniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Nitrobenzylidene)aniline. With a topological polar surface area (TPSA) of 58.2 Ų, N-(3-Nitrobenzylidene)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Nitrobenzylidene)aniline 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 N-(3-Nitrobenzylidene)aniline?
The CAS number of N-(3-Nitrobenzylidene)aniline is 178980-66-0.
What is the molecular formula of N-(3-Nitrobenzylidene)aniline?
The molecular formula of N-(3-Nitrobenzylidene)aniline is C13H10N2O2.
What is the molecular weight of N-(3-Nitrobenzylidene)aniline?
The molecular weight of N-(3-Nitrobenzylidene)aniline is 226.07 g/mol.
Where can I buy N-(3-Nitrobenzylidene)aniline?
You can request a quote for N-(3-Nitrobenzylidene)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Nitrobenzylidene)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Nitrobenzylidene)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.