(4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride
TL;DR: (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride (CAS 71411-76-2) is a chemical compound with molecular formula C14H12Cl2N2 and molecular weight 278.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminophenyl)-2-(4-chlorophenyl)acetonitrile;hydrochloride
Also Known As: (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride, (1)-(4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride, 2-(4-aminophenyl)-2-(4-chlorophenyl)acetonitrile hydrochloride, (+-)-[4-[(4-chlorophenyl)cyanomethyl]phenyl]ammonium chloride, (4-Aminophenyl)(4-chlorophenyl)acetonitrile--hydrogen chloride (1/1)
| Molecular Formula | C14H12Cl2N2 |
|---|---|
| Molecular Weight | 278.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.03775 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 71411-76-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)C2=CC=C(C=C2)Cl)N.Cl |
| InChIKey | WPLNHSSRSJORCL-UHFFFAOYSA-N |
Product Overview
(4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride (CAS 71411-76-2), with molecular formula C14H12Cl2N2 and molecular weight 278.04 g/mol. IUPAC: 2-(4-aminophenyl)-2-(4-chlorophenyl)acetonitrile;hydrochloride.
Chemical Property Profile of (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride
Property Insights of (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride
The XLogP value of 4.0 indicates that (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride has 2 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-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride?
The CAS number of (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride is 71411-76-2.
What is the molecular formula of (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride?
The molecular formula of (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride is C14H12Cl2N2.
What is the molecular weight of (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride?
The molecular weight of (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride is 278.04 g/mol.
Where can I buy (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride?
You can request a quote for (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for (4-((4-Chlorophenyl)cyanomethyl)phenyl)ammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.