Propanenitrile, 3,3',3''-nitrilotris-
TL;DR: Propanenitrile, 3,3',3''-nitrilotris- (CAS 7528-78-1) is a chemical compound with molecular formula C9H12N4 and molecular weight 176.1062 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[bis(2-cyanoethyl)amino]propanenitrile
Also Known As: Tris(2-cyanoethyl)amine, 3,3',3''-Nitrilotripropanenitrile, Propanenitrile, 3,3',3''-nitrilotris-, 3,3,3-Nitrilotripropionitrile, 3-[bis(2-cyanoethyl)amino]propanenitrile
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12N4 |
| Molecular Weight | 176.1062 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.1062 Da |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
| SMILES | C(CN(CCC#N)CCC#N)C#N |
| InChIKey | FYYPYNRGACGNNN-UHFFFAOYSA-N |
Chemical Property Profile of Propanenitrile, 3,3',3''-nitrilotris-
Property Insights of Propanenitrile, 3,3',3''-nitrilotris-
The XLogP value of -0.7 indicates that Propanenitrile, 3,3',3''-nitrilotris- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanenitrile, 3,3',3''-nitrilotris-. Following Lipinski's Rule of Five, Propanenitrile, 3,3',3''-nitrilotris- 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 Propanenitrile, 3,3',3''-nitrilotris-?
The CAS number of Propanenitrile, 3,3',3''-nitrilotris- is 7528-78-1.
What is the molecular formula of Propanenitrile, 3,3',3''-nitrilotris-?
The molecular formula of Propanenitrile, 3,3',3''-nitrilotris- is C9H12N4.
What is the molecular weight of Propanenitrile, 3,3',3''-nitrilotris-?
The molecular weight of Propanenitrile, 3,3',3''-nitrilotris- is 176.1062 g/mol.
Where can I buy Propanenitrile, 3,3',3''-nitrilotris-?
You can request a quote for Propanenitrile, 3,3',3''-nitrilotris- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanenitrile, 3,3',3''-nitrilotris-?
Yes, CoreyChem provides custom synthesis services for Propanenitrile, 3,3',3''-nitrilotris- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.