3-(3-aminophenyl)benzonitrile Hydrochloride
TL;DR: 3-(3-aminophenyl)benzonitrile Hydrochloride (CAS 1049744-24-2) is a chemical compound with molecular formula C13H11ClN2 and molecular weight 230.06108 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-aminophenyl)benzonitrile;hydrochloride
Also Known As: 3-(3-Aminophenyl)benzonitrile, HCl, 3-(3-aminophenyl)benzonitrile Hydrochloride, 3-(3-Aminophenyl)benzonitrile HCl, 3'-Aminobiphenyl-3-carbonitrile hydrochloride, 3'-Amino-[1,1'-biphenyl]-3-carbonitrile hydrochloride
Technical Specifications
| Molecular Formula | C13H11ClN2 |
| Molecular Weight | 230.06108 g/mol |
| XLogP | 3.22928 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.06108 Da |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
| SMILES | C1=CC(=CC(=C1)C2=CC(=CC=C2)N)C#N.Cl |
| InChIKey | NYOUTQMBXQFWJN-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-aminophenyl)benzonitrile Hydrochloride
Property Insights of 3-(3-aminophenyl)benzonitrile Hydrochloride
The XLogP value of 3.22928 indicates that 3-(3-aminophenyl)benzonitrile Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 3-(3-aminophenyl)benzonitrile Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-aminophenyl)benzonitrile Hydrochloride 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
What is the CAS number of 3-(3-aminophenyl)benzonitrile Hydrochloride?
The CAS number of 3-(3-aminophenyl)benzonitrile Hydrochloride is 1049744-24-2.
What is the molecular formula of 3-(3-aminophenyl)benzonitrile Hydrochloride?
The molecular formula of 3-(3-aminophenyl)benzonitrile Hydrochloride is C13H11ClN2.
What is the molecular weight of 3-(3-aminophenyl)benzonitrile Hydrochloride?
The molecular weight of 3-(3-aminophenyl)benzonitrile Hydrochloride is 230.06108 g/mol.
Where can I buy 3-(3-aminophenyl)benzonitrile Hydrochloride?
You can request a quote for 3-(3-aminophenyl)benzonitrile Hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-aminophenyl)benzonitrile Hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-(3-aminophenyl)benzonitrile Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.