4-(3-Morpholinopropoxy)benzonitrile
TL;DR: 4-(3-Morpholinopropoxy)benzonitrile (CAS 146440-16-6) is a chemical compound with molecular formula C14H18N2O2 and molecular weight 246.13683 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-morpholin-4-ylpropoxy)benzonitrile
Also Known As: 4-(3-morpholinopropoxy)benzonitrile, 4-[3-(4-Morpholinyl)propoxy]benzonitrile, 4-(3-morpholin-4-ylpropoxy)benzonitrile, 4-[3-(morpholin-4-yl)propoxy]benzonitrile
Technical Specifications
| Molecular Formula | C14H18N2O2 |
| Molecular Weight | 246.13683 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.13683 Da |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
| SMILES | C1COCCN1CCCOC2=CC=C(C=C2)C#N |
| InChIKey | SBCPMTIGBPCIGI-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Morpholinopropoxy)benzonitrile
Property Insights of 4-(3-Morpholinopropoxy)benzonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Morpholinopropoxy)benzonitrile. With a topological polar surface area (TPSA) of 45.5 Ų, 4-(3-Morpholinopropoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Morpholinopropoxy)benzonitrile has 0 hydrogen bond donor(s) and 4 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-(3-Morpholinopropoxy)benzonitrile?
The CAS number of 4-(3-Morpholinopropoxy)benzonitrile is 146440-16-6.
What is the molecular formula of 4-(3-Morpholinopropoxy)benzonitrile?
The molecular formula of 4-(3-Morpholinopropoxy)benzonitrile is C14H18N2O2.
What is the molecular weight of 4-(3-Morpholinopropoxy)benzonitrile?
The molecular weight of 4-(3-Morpholinopropoxy)benzonitrile is 246.13683 g/mol.
Where can I buy 4-(3-Morpholinopropoxy)benzonitrile?
You can request a quote for 4-(3-Morpholinopropoxy)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Morpholinopropoxy)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(3-Morpholinopropoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.