(4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide
TL;DR: (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide (CAS 73663-99-7) is a chemical compound with molecular formula C11H14ClIN2 and molecular weight 335.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-chlorophenyl)-cyanomethyl]-trimethylazanium iodide
Also Known As: (p-Chloro-alpha-cyanobenzyl)trimethylammonium iodide, alpha-Trimethylammonium-4-chlorophenylacetonitrile iodide, [(4-chlorophenyl)-cyanomethyl]-trimethylazanium iodide, AMMONIUM, (p-CHLORO-alpha-CYANOBENZYL)TRIMETHYL-, IODIDE, (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide
| Molecular Formula | C11H14ClIN2 |
|---|---|
| Molecular Weight | 335.99 g/mol |
| LogP | -0.39 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.989 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 73663-99-7 |
|---|---|
| SMILES | C[N+](C)(C)C(C#N)C1=CC=C(C=C1)Cl.[I-] |
| InChIKey | DJNRVNNKRWXXHV-UHFFFAOYSA-M |
Product Overview
(4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide (CAS 73663-99-7), with molecular formula C11H14ClIN2 and molecular weight 335.99 g/mol. IUPAC: [(4-chlorophenyl)-cyanomethyl]-trimethylazanium iodide.
Chemical Property Profile of (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide
Property Insights of (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide
The XLogP value of -0.39 indicates that (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 23.8 Ų, (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide has 0 hydrogen bond donor(s) and 2 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 (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide?
The CAS number of (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide is 73663-99-7.
What is the molecular formula of (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide?
The molecular formula of (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide is C11H14ClIN2.
What is the molecular weight of (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide?
The molecular weight of (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide is 335.99 g/mol.
Where can I buy (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide?
You can request a quote for (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)(cyano)-N,N,N-trimethylmethanaminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.