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Bicyclo[2.2.1]heptane-1-carbonitrile
TL;DR: Bicyclo[2.2.1]heptane-1-carbonitrile (CAS 103434-09-9) is a chemical compound with molecular formula C8H11N and molecular weight 121.08915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bicyclo[2.2.1]heptane-1-carbonitrile
Also Known As: 1-cyanonorbornane, 1-Norbornylisocyanide, Bicyclo[2.2.1]heptane-1-carbonitrile, norbornane-1-carbonitrile, bicyclo[2.2.1]heptane-4-carbonitrile
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H11N |
| Molecular Weight | 121.08915 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.08915 Da |
| Heavy Atoms | 9 |
| Complexity | 166.0 |
| SMILES | C1CC2(CCC1C2)C#N |
| InChIKey | OJDABTNGJHBQFD-UHFFFAOYSA-N |
Chemical Property Profile of Bicyclo[2.2.1]heptane-1-carbonitrile
Property Insights of Bicyclo[2.2.1]heptane-1-carbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[2.2.1]heptane-1-carbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, Bicyclo[2.2.1]heptane-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.1]heptane-1-carbonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bicyclo[2.2.1]heptane-1-carbonitrile?
The CAS number of Bicyclo[2.2.1]heptane-1-carbonitrile is 103434-09-9.
What is the molecular formula of Bicyclo[2.2.1]heptane-1-carbonitrile?
The molecular formula of Bicyclo[2.2.1]heptane-1-carbonitrile is C8H11N.
What is the molecular weight of Bicyclo[2.2.1]heptane-1-carbonitrile?
The molecular weight of Bicyclo[2.2.1]heptane-1-carbonitrile is 121.08915 g/mol.
Where can I buy Bicyclo[2.2.1]heptane-1-carbonitrile?
You can request a quote for Bicyclo[2.2.1]heptane-1-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bicyclo[2.2.1]heptane-1-carbonitrile?
Yes, CoreyChem provides custom synthesis services for Bicyclo[2.2.1]heptane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.