2-Isopropenylaniline
TL;DR: 2-Isopropenylaniline (CAS 52562-19-3) is a chemical compound with molecular formula C9H11N and molecular weight 133.08914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-prop-1-en-2-ylaniline
Also Known As: 2-Isopropenylaniline, 2-(Prop-1-en-2-yl)aniline, o-Isopropenylaniline, Benzenamine, 2-(1-methylethenyl)-, 2-prop-1-en-2-ylaniline
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11N |
| Molecular Weight | 133.08914 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 133.08914 Da |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
| SMILES | CC(=C)C1=CC=CC=C1N |
| InChIKey | HEDYZFYQYPWWCC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Isopropenylaniline
Property Insights of 2-Isopropenylaniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropenylaniline. With a topological polar surface area (TPSA) of 26.0 Ų, 2-Isopropenylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropenylaniline 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
What is the CAS number of 2-Isopropenylaniline?
The CAS number of 2-Isopropenylaniline is 52562-19-3.
What is the molecular formula of 2-Isopropenylaniline?
The molecular formula of 2-Isopropenylaniline is C9H11N.
What is the molecular weight of 2-Isopropenylaniline?
The molecular weight of 2-Isopropenylaniline is 133.08914 g/mol.
Where can I buy 2-Isopropenylaniline?
You can request a quote for 2-Isopropenylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Isopropenylaniline?
Yes, CoreyChem provides custom synthesis services for 2-Isopropenylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.