N-ethenylideneaniline
TL;DR: N-ethenylideneaniline (CAS 42540-72-7) is a chemical compound with molecular formula C8H7N and molecular weight 117.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenylethenimine
Also Known As: N-phenylethenimine, N-ethenylideneaniline, N-Phenylketenimine, n-phenylethyleneimine, N-phenylethen-1-imine
| Molecular Formula | C8H7N |
|---|---|
| Molecular Weight | 117.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 117.057846 |
| Heavy Atoms | 9 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 42540-72-7 |
|---|---|
| SMILES | C=C=NC1=CC=CC=C1 |
| InChIKey | MJUXRARMNNVUNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-ethenylideneaniline (CAS 42540-72-7), with molecular formula C8H7N and molecular weight 117.06 g/mol. IUPAC: N-phenylethenimine.
Chemical Property Profile of N-ethenylideneaniline
Property Insights of N-ethenylideneaniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethenylideneaniline. With a topological polar surface area (TPSA) of 12.4 Ų, N-ethenylideneaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethenylideneaniline has 0 hydrogen bond donor(s) and 1 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-ethenylideneaniline?
The CAS number of N-ethenylideneaniline is 42540-72-7.
What is the molecular formula of N-ethenylideneaniline?
The molecular formula of N-ethenylideneaniline is C8H7N.
What is the molecular weight of N-ethenylideneaniline?
The molecular weight of N-ethenylideneaniline is 117.06 g/mol.
Where can I buy N-ethenylideneaniline?
You can request a quote for N-ethenylideneaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethenylideneaniline?
Yes, KEHONG BIO provides custom synthesis services for N-ethenylideneaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.