![3-[3-(Aminomethyl)phenyl]benzonitrile structure](/static/products/114/1145680-20-1.webp)
3-[3-(Aminomethyl)phenyl]benzonitrile
TL;DR: 3-[3-(Aminomethyl)phenyl]benzonitrile (CAS 1145680-20-1) is a chemical compound with molecular formula C14H12N2 and molecular weight 208.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-(aminomethyl)phenyl]benzonitrile
Also Known As: [1,1'-Biphenyl]-3-carbonitrile, 3'-(aminomethyl)-
Technical Specifications
| Molecular Formula | C14H12N2 |
| Molecular Weight | 208.10005 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.10005 Da |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
| SMILES | C1=CC(=CC(=C1)C2=CC=CC(=C2)C#N)CN |
| InChIKey | HTEIHEQZFBKKJR-UHFFFAOYSA-N |
Chemical Property Profile of 3-[3-(Aminomethyl)phenyl]benzonitrile
Property Insights of 3-[3-(Aminomethyl)phenyl]benzonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(Aminomethyl)phenyl]benzonitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 3-[3-(Aminomethyl)phenyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-(Aminomethyl)phenyl]benzonitrile 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 3-[3-(Aminomethyl)phenyl]benzonitrile?
The CAS number of 3-[3-(Aminomethyl)phenyl]benzonitrile is 1145680-20-1.
What is the molecular formula of 3-[3-(Aminomethyl)phenyl]benzonitrile?
The molecular formula of 3-[3-(Aminomethyl)phenyl]benzonitrile is C14H12N2.
What is the molecular weight of 3-[3-(Aminomethyl)phenyl]benzonitrile?
The molecular weight of 3-[3-(Aminomethyl)phenyl]benzonitrile is 208.10005 g/mol.
Where can I buy 3-[3-(Aminomethyl)phenyl]benzonitrile?
You can request a quote for 3-[3-(Aminomethyl)phenyl]benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[3-(Aminomethyl)phenyl]benzonitrile?
Yes, CoreyChem provides custom synthesis services for 3-[3-(Aminomethyl)phenyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.