N-(3-chlorobut-2-enyl)-4-methylaniline
TL;DR: N-(3-chlorobut-2-enyl)-4-methylaniline (CAS 111831-88-0) is a chemical compound with molecular formula C11H14ClN and molecular weight 195.08148 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-chlorobut-2-enyl)-4-methylaniline
Also Known As: N-(3-chloro-but-2-enyl)-p-toluidine, N-(3-chlorobut-2-enyl)-4-methylaniline, N-(3-chlorobut-2-enyl)-4-methyl-aniline
Technical Specifications
| Molecular Formula | C11H14ClN |
| Molecular Weight | 195.08148 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.08148 Da |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
| SMILES | CC1=CC=C(C=C1)NCC=C(C)Cl |
| InChIKey | FKEDJXDOKZSCHE-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-chlorobut-2-enyl)-4-methylaniline
Property Insights of N-(3-chlorobut-2-enyl)-4-methylaniline
The XLogP value of 3.6 indicates that N-(3-chlorobut-2-enyl)-4-methylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, N-(3-chlorobut-2-enyl)-4-methylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chlorobut-2-enyl)-4-methylaniline 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 N-(3-chlorobut-2-enyl)-4-methylaniline?
The CAS number of N-(3-chlorobut-2-enyl)-4-methylaniline is 111831-88-0.
What is the molecular formula of N-(3-chlorobut-2-enyl)-4-methylaniline?
The molecular formula of N-(3-chlorobut-2-enyl)-4-methylaniline is C11H14ClN.
What is the molecular weight of N-(3-chlorobut-2-enyl)-4-methylaniline?
The molecular weight of N-(3-chlorobut-2-enyl)-4-methylaniline is 195.08148 g/mol.
Where can I buy N-(3-chlorobut-2-enyl)-4-methylaniline?
You can request a quote for N-(3-chlorobut-2-enyl)-4-methylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-chlorobut-2-enyl)-4-methylaniline?
Yes, CoreyChem provides custom synthesis services for N-(3-chlorobut-2-enyl)-4-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.