4-Morpholinepropanenitrile
TL;DR: 4-Morpholinepropanenitrile (CAS 4542-47-6) is a chemical compound with molecular formula C7H12N2O and molecular weight 140.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-morpholin-4-ylpropanenitrile
Also Known As: 4-Morpholinepropanenitrile, 3-(4-Morpholino)propionitrile, 3-Morpholinopropionitrile, 3-morpholin-4-ylpropanenitrile, 3-morpholinopropanenitrile
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12N2O |
| Molecular Weight | 140.09496 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.09496 Da |
| Heavy Atoms | 10 |
| Complexity | 132.0 |
| SMILES | C1COCCN1CCC#N |
| InChIKey | WXVKGHVDWWXBJX-UHFFFAOYSA-N |
Chemical Property Profile of 4-Morpholinepropanenitrile
Property Insights of 4-Morpholinepropanenitrile
The XLogP value of -0.4 indicates that 4-Morpholinepropanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.3 Ų, 4-Morpholinepropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Morpholinepropanenitrile has 0 hydrogen bond donor(s) and 3 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-Morpholinepropanenitrile?
The CAS number of 4-Morpholinepropanenitrile is 4542-47-6.
What is the molecular formula of 4-Morpholinepropanenitrile?
The molecular formula of 4-Morpholinepropanenitrile is C7H12N2O.
What is the molecular weight of 4-Morpholinepropanenitrile?
The molecular weight of 4-Morpholinepropanenitrile is 140.09496 g/mol.
Where can I buy 4-Morpholinepropanenitrile?
You can request a quote for 4-Morpholinepropanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Morpholinepropanenitrile?
Yes, CoreyChem provides custom synthesis services for 4-Morpholinepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.