4-Iodo-N,N-dimethylaniline
TL;DR: 4-Iodo-N,N-dimethylaniline (CAS 698-70-4) is a chemical compound with molecular formula CN(C)C1=CC=C(C=C1)I and molecular weight 246.9858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-iodo-N,N-dimethylaniline
Also Known As: 4-iodo-N,N-dimethylaniline, N,N-Dimethyl-4-iodoaniline, p-Iodo-N,N-dimethylaniline, Aniline,N-dimethyl-, (4-iodophenyl)dimethylamine
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | CN(C)C1=CC=C(C=C1)I |
| Molecular Weight | 246.9858 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.9858 Da |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
| SMILES | CN(C)C1=CC=C(C=C1)I |
| InChIKey | QYOPPZJZMFMBDN-UHFFFAOYSA-N |
Product Description
Applications: 4-Iodo-N,N-dimethylaniline is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Iodo-N,N-dimethylaniline (CAS 698-70-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Iodo-N,N-dimethylaniline is a pharmaceutical intermediate identified by CAS number 698-70-4 and the molecular formula CN(C)C1=CC=C(C=C1)I and a molecular weight of 246.99 g/mol. It is also known as 4-iodo-N,N-dimethylaniline and N,N-Dimethyl-4-iodoaniline.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-Iodo-N,N-dimethylaniline
Property Insights of 4-Iodo-N,N-dimethylaniline
The XLogP value of 3.1 indicates that 4-Iodo-N,N-dimethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 4-Iodo-N,N-dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodo-N,N-dimethylaniline 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
What is the CAS number of 4-Iodo-N,N-dimethylaniline?
The CAS number of 4-Iodo-N,N-dimethylaniline is 698-70-4.
What is the molecular formula of 4-Iodo-N,N-dimethylaniline?
The molecular formula of 4-Iodo-N,N-dimethylaniline is CN(C)C1=CC=C(C=C1)I.
What is the molecular weight of 4-Iodo-N,N-dimethylaniline?
The molecular weight of 4-Iodo-N,N-dimethylaniline is 246.9858 g/mol.
What are the applications of 4-Iodo-N,N-dimethylaniline?
4-Iodo-N,N-dimethylaniline is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Iodo-N,N-dimethylaniline...
Where can I buy 4-Iodo-N,N-dimethylaniline?
You can request a quote for 4-Iodo-N,N-dimethylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Iodo-N,N-dimethylaniline?
Yes, CoreyChem provides custom synthesis services for 4-Iodo-N,N-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.