![2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile structure](/static/products/1442/144224-94-2.webp)
2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile
TL;DR: 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile (CAS 144224-94-2) is a chemical compound with molecular formula C16H22N4 and molecular weight 270.18445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-[(1-cyanopropylamino)methyl]phenyl]methylamino]butanenitrile
Also Known As: 3-acetoxy-2-hydroxycetophenone, NCI60_029213, 2-[[4-[(1-cyanopropylamino)methyl]phenyl]methylamino]butanenitrile, Butanenitrile, 2,2'-[1,4-phenylenebis(methyleneimino)]bis-, 2,2'-[1,4-Phenylenebis(methyleneazanediyl)]dibutanenitrile
Technical Specifications
| Molecular Formula | C16H22N4 |
| Molecular Weight | 270.18445 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 71.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 270.18445 Da |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
| SMILES | CCC(C#N)NCC1=CC=C(C=C1)CNC(CC)C#N |
| InChIKey | RXHDPCPJBAUHQE-UHFFFAOYSA-N |
Chemical Property Profile of 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile
Property Insights of 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile. Following Lipinski's Rule of Five, 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile has 2 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 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile?
The CAS number of 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile is 144224-94-2.
What is the molecular formula of 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile?
The molecular formula of 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile is C16H22N4.
What is the molecular weight of 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile?
The molecular weight of 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile is 270.18445 g/mol.
Where can I buy 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile?
You can request a quote for 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile?
Yes, CoreyChem provides custom synthesis services for 2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.