4-Amino-4'-cyanobiphenyl
TL;DR: 4-Amino-4'-cyanobiphenyl (CAS 4854-84-6) is a chemical compound with molecular formula C13H10N2 and molecular weight 194.0844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-aminophenyl)benzonitrile
Also Known As: 4-Amino-4'-cyanobiphenyl, 4'-Aminobiphenyl-4-carbonitrile, 4-(4-Aminophenyl)benzonitrile, 4'-Amino-[1,1'-biphenyl]-4-carbonitrile, 4-Amino-[1,1-biphenyl]-4-carbonitrile
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10N2 |
| Molecular Weight | 194.0844 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.0844 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | C1=CC(=CC=C1C#N)C2=CC=C(C=C2)N |
| InChIKey | CPJQKNUJNWPAPH-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-4'-cyanobiphenyl
Property Insights of 4-Amino-4'-cyanobiphenyl
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-4'-cyanobiphenyl. With a topological polar surface area (TPSA) of 49.8 Ų, 4-Amino-4'-cyanobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-4'-cyanobiphenyl has 1 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 4-Amino-4'-cyanobiphenyl?
The CAS number of 4-Amino-4'-cyanobiphenyl is 4854-84-6.
What is the molecular formula of 4-Amino-4'-cyanobiphenyl?
The molecular formula of 4-Amino-4'-cyanobiphenyl is C13H10N2.
What is the molecular weight of 4-Amino-4'-cyanobiphenyl?
The molecular weight of 4-Amino-4'-cyanobiphenyl is 194.0844 g/mol.
Where can I buy 4-Amino-4'-cyanobiphenyl?
You can request a quote for 4-Amino-4'-cyanobiphenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-4'-cyanobiphenyl?
Yes, CoreyChem provides custom synthesis services for 4-Amino-4'-cyanobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.