3-硝基-N-(亚苄基)苯胺
TL;DR: 3-硝基-N-(亚苄基)苯胺 (CAS 5341-44-6) 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.
3-硝基-N-(亚苄基)苯胺
N-(3-nitrophenyl)-1-phenylmethanimine
Also Known As: N-Benzylidene-m-nitroaniline, Benzal-m-nitroaniline, N-Benzylidene-3-nitroaniline, N-(3-nitrophenyl)-1-phenylmethanimine, Benzylidene-m-nitroaniline
| 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 | 5341-44-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | HFGFPUPROHHWFT-UHFFFAOYSA-N |
Product Overview
3-硝基-N-(亚苄基)苯胺 (CAS 5341-44-6), with molecular formula C13H10N2O2 and molecular weight 226.07 g/mol. IUPAC: N-(3-nitrophenyl)-1-phenylmethanimine.
Chemical Property Profile of 3-硝基-N-(亚苄基)苯胺
Property Insights of 3-硝基-N-(亚苄基)苯胺
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基-N-(亚苄基)苯胺. With a topological polar surface area (TPSA) of 58.2 Ų, 3-硝基-N-(亚苄基)苯胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-硝基-N-(亚苄基)苯胺 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 3-硝基-N-(亚苄基)苯胺?
The CAS number of 3-硝基-N-(亚苄基)苯胺 is 5341-44-6.
What is the molecular formula of 3-硝基-N-(亚苄基)苯胺?
The molecular formula of 3-硝基-N-(亚苄基)苯胺 is C13H10N2O2.
What is the molecular weight of 3-硝基-N-(亚苄基)苯胺?
The molecular weight of 3-硝基-N-(亚苄基)苯胺 is 226.07 g/mol.
Where can I buy 3-硝基-N-(亚苄基)苯胺?
You can request a quote for 3-硝基-N-(亚苄基)苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基-N-(亚苄基)苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基-N-(亚苄基)苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.