![n-[(e)-(4-Nitrophenyl)methylene]methanamine structure](/static/products/1803/18031-29-3.webp)
n-[(e)-(4-Nitrophenyl)methylene]methanamine
TL;DR: n-[(e)-(4-Nitrophenyl)methylene]methanamine (CAS 18031-29-3) is a chemical compound with molecular formula C8H8N2O2 and molecular weight 164.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-1-(4-nitrophenyl)methanimine
Also Known As: p-nitrobenzylidenemethylamine, p-nitrobenzylidene-methylamine, N-Methyl-4-nitrobenzylideneamine, (E)-methyl[(4-nitrophenyl)methylidene]amine, N-(4-Nitrobenzylidene)methaneamine
| Molecular Formula | C8H8N2O2 |
|---|---|
| Molecular Weight | 164.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.05858 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 18031-29-3 |
|---|---|
| SMILES | CN=CC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | KXVFTZOZYASDRU-UHFFFAOYSA-N |
Product Overview
n-[(e)-(4-Nitrophenyl)methylene]methanamine (CAS 18031-29-3), with molecular formula C8H8N2O2 and molecular weight 164.06 g/mol. IUPAC: N-methyl-1-(4-nitrophenyl)methanimine.
Chemical Property Profile of n-[(e)-(4-Nitrophenyl)methylene]methanamine
Property Insights of n-[(e)-(4-Nitrophenyl)methylene]methanamine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-[(e)-(4-Nitrophenyl)methylene]methanamine. With a topological polar surface area (TPSA) of 58.2 Ų, n-[(e)-(4-Nitrophenyl)methylene]methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-[(e)-(4-Nitrophenyl)methylene]methanamine 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-[(e)-(4-Nitrophenyl)methylene]methanamine?
The CAS number of n-[(e)-(4-Nitrophenyl)methylene]methanamine is 18031-29-3.
What is the molecular formula of n-[(e)-(4-Nitrophenyl)methylene]methanamine?
The molecular formula of n-[(e)-(4-Nitrophenyl)methylene]methanamine is C8H8N2O2.
What is the molecular weight of n-[(e)-(4-Nitrophenyl)methylene]methanamine?
The molecular weight of n-[(e)-(4-Nitrophenyl)methylene]methanamine is 164.06 g/mol.
Where can I buy n-[(e)-(4-Nitrophenyl)methylene]methanamine?
You can request a quote for n-[(e)-(4-Nitrophenyl)methylene]methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-[(e)-(4-Nitrophenyl)methylene]methanamine?
Yes, KEHONG BIO provides custom synthesis services for n-[(e)-(4-Nitrophenyl)methylene]methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.