2-(1-Hydroxycycloheptyl)acetonitrile
TL;DR: 2-(1-Hydroxycycloheptyl)acetonitrile (CAS 144127-23-1) is a chemical compound with molecular formula C9H15NO and molecular weight 153.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-hydroxycycloheptyl)acetonitrile
Also Known As: 2-(1-hydroxycycloheptyl)acetonitrile, 1-Hydroxycycloheptaneacetonitrile, J2.747.975H
Technical Specifications
| Molecular Formula | C9H15NO |
| Molecular Weight | 153.11537 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.11537 Da |
| Heavy Atoms | 11 |
| Complexity | 160.0 |
| SMILES | C1CCCC(CC1)(CC#N)O |
| InChIKey | ZEFKCEMRMHFOSW-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Hydroxycycloheptyl)acetonitrile
Property Insights of 2-(1-Hydroxycycloheptyl)acetonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Hydroxycycloheptyl)acetonitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 2-(1-Hydroxycycloheptyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Hydroxycycloheptyl)acetonitrile 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 2-(1-Hydroxycycloheptyl)acetonitrile?
The CAS number of 2-(1-Hydroxycycloheptyl)acetonitrile is 144127-23-1.
What is the molecular formula of 2-(1-Hydroxycycloheptyl)acetonitrile?
The molecular formula of 2-(1-Hydroxycycloheptyl)acetonitrile is C9H15NO.
What is the molecular weight of 2-(1-Hydroxycycloheptyl)acetonitrile?
The molecular weight of 2-(1-Hydroxycycloheptyl)acetonitrile is 153.11537 g/mol.
Where can I buy 2-(1-Hydroxycycloheptyl)acetonitrile?
You can request a quote for 2-(1-Hydroxycycloheptyl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Hydroxycycloheptyl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1-Hydroxycycloheptyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.