N-Methyl-2-vinylaniline
TL;DR: N-Methyl-2-vinylaniline (CAS 58922-31-9) is a chemical compound with molecular formula C9H11N and molecular weight 133.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethenyl-N-methylaniline
Also Known As: N-Methyl-2-vinylaniline, 2-ethenyl-n-methylaniline, o-ethenyl-N-methylaniline, 3-N-methylanilino-1-propanol
| Molecular Formula | C9H11N |
|---|---|
| Molecular Weight | 133.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 133.08914 |
| Heavy Atoms | 10 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 58922-31-9 |
|---|---|
| SMILES | CNC1=CC=CC=C1C=C |
| InChIKey | PUQNLIKQRSZTTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methyl-2-vinylaniline (CAS 58922-31-9), with molecular formula C9H11N and molecular weight 133.09 g/mol. IUPAC: 2-ethenyl-N-methylaniline.
Chemical Property Profile of N-Methyl-2-vinylaniline
Property Insights of N-Methyl-2-vinylaniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-2-vinylaniline. With a topological polar surface area (TPSA) of 12.0 Ų, N-Methyl-2-vinylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-2-vinylaniline 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-Methyl-2-vinylaniline?
The CAS number of N-Methyl-2-vinylaniline is 58922-31-9.
What is the molecular formula of N-Methyl-2-vinylaniline?
The molecular formula of N-Methyl-2-vinylaniline is C9H11N.
What is the molecular weight of N-Methyl-2-vinylaniline?
The molecular weight of N-Methyl-2-vinylaniline is 133.09 g/mol.
Where can I buy N-Methyl-2-vinylaniline?
You can request a quote for N-Methyl-2-vinylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-2-vinylaniline?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-2-vinylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.