1-(p-Tolyl)cyclopropanecarbonitrile
TL;DR: 1-(p-Tolyl)cyclopropanecarbonitrile (CAS 71172-78-6) is a chemical compound with molecular formula C11H11N and molecular weight 157.08914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylphenyl)cyclopropane-1-carbonitrile
Also Known As: 1-(4-METHYLPHENYL)-1-CYCLOPROPANECARBONITRILE, 1-(4-methylphenyl)cyclopropanecarbonitrile, 1-(p-Tolyl)cyclopropanecarbonitrile, 1-(4-methylphenyl)cyclopropane-1-carbonitrile, 1-p-tolylcyclopropanecarbonitrile
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11N |
| Molecular Weight | 157.08914 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.08914 Da |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
| SMILES | CC1=CC=C(C=C1)C2(CC2)C#N |
| InChIKey | NMDIWHQRZLXXNV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(p-Tolyl)cyclopropanecarbonitrile
Property Insights of 1-(p-Tolyl)cyclopropanecarbonitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Tolyl)cyclopropanecarbonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 1-(p-Tolyl)cyclopropanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(p-Tolyl)cyclopropanecarbonitrile 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 1-(p-Tolyl)cyclopropanecarbonitrile?
The CAS number of 1-(p-Tolyl)cyclopropanecarbonitrile is 71172-78-6.
What is the molecular formula of 1-(p-Tolyl)cyclopropanecarbonitrile?
The molecular formula of 1-(p-Tolyl)cyclopropanecarbonitrile is C11H11N.
What is the molecular weight of 1-(p-Tolyl)cyclopropanecarbonitrile?
The molecular weight of 1-(p-Tolyl)cyclopropanecarbonitrile is 157.08914 g/mol.
Where can I buy 1-(p-Tolyl)cyclopropanecarbonitrile?
You can request a quote for 1-(p-Tolyl)cyclopropanecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(p-Tolyl)cyclopropanecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-(p-Tolyl)cyclopropanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.