Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride
TL;DR: Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride (CAS 71411-79-5) is a chemical compound with molecular formula C15H15ClN2O and molecular weight 274.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aminophenyl)-2-(4-methoxyphenyl)acetonitrile;hydrochloride
Also Known As: (1)-(4-(Cyano(4-methoxyphenyl)methyl)phenyl)ammonium chloride, (+-)-[4-[cyano(4-methoxyphenyl)methyl]phenyl]ammonium chloride, 2-(4-aminophenyl)-2-(4-methoxyphenyl)acetonitrile hydrochloride, (4-Aminophenyl)(4-methoxyphenyl)acetonitrile--hydrogen chloride (1/1), Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride
| Molecular Formula | C15H15ClN2O |
|---|---|
| Molecular Weight | 274.09 g/mol |
| LogP | 3.35 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.08728 |
| Heavy Atoms | 19 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 71411-79-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C#N)C2=CC=C(C=C2)N.Cl |
| InChIKey | GVGHUQLFOXYPJO-UHFFFAOYSA-N |
Product Overview
Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride (CAS 71411-79-5), with molecular formula C15H15ClN2O and molecular weight 274.09 g/mol. IUPAC: 2-(4-aminophenyl)-2-(4-methoxyphenyl)acetonitrile;hydrochloride.
Chemical Property Profile of Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride
Property Insights of Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride
The XLogP value of 3.35 indicates that Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride. Following Lipinski's Rule of Five, Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 3 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 Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride?
The CAS number of Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride is 71411-79-5.
What is the molecular formula of Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride?
The molecular formula of Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride is C15H15ClN2O.
What is the molecular weight of Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride?
The molecular weight of Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride is 274.09 g/mol.
Where can I buy Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride?
You can request a quote for Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, 4-amino-alpha-(4-methoxyphenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.