N-ethenylaniline
TL;DR: N-ethenylaniline (CAS 6245-53-0) is a chemical compound with molecular formula C8H9N and molecular weight 119.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethenylaniline
Also Known As: N-ethenylaniline, vinylaniline, n-vinylaniline, N-Phenylethenamine, Benzenamine, N-ethenyl-
| Molecular Formula | C8H9N |
|---|---|
| Molecular Weight | 119.07 g/mol |
| LogP | 2.242 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 119.0735 |
| Heavy Atoms | 9 |
| Complexity | 179.01894 |
Chemical Identifiers
| CAS Number | 6245-53-0 |
|---|---|
| SMILES | C=CNC1=CC=CC=C1 |
Product Overview
N-ethenylaniline (CAS 6245-53-0), with molecular formula C8H9N and molecular weight 119.07 g/mol. IUPAC: N-ethenylaniline.
Chemical Property Profile of N-ethenylaniline
Property Insights of N-ethenylaniline
The XLogP value of 2.242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethenylaniline. With a topological polar surface area (TPSA) of 12.03 Ų, N-ethenylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-ethenylaniline has 1 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-ethenylaniline?
The CAS number of N-ethenylaniline is 6245-53-0.
What is the molecular formula of N-ethenylaniline?
The molecular formula of N-ethenylaniline is C8H9N.
What is the molecular weight of N-ethenylaniline?
The molecular weight of N-ethenylaniline is 119.07 g/mol.
Where can I buy N-ethenylaniline?
You can request a quote for N-ethenylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethenylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-ethenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.