Butyronitrile, 4,4'-iminodi-
TL;DR: Butyronitrile, 4,4'-iminodi- (CAS 90556-21-1) is a chemical compound with molecular formula C8H13N3 and molecular weight 151.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-cyanopropylamino)butanenitrile
Also Known As: Di(3-cianopropil)ammina, 4,4'-Iminodibutyronitrile, 3,3'-Iminodipropyl cyanide, BUTYRONITRILE, 4,4'-IMINODI-, Di(3-cianopropil)ammina [Italian]
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H13N3 |
| Molecular Weight | 151.11095 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 151.11095 Da |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
| SMILES | C(CC#N)CNCCCC#N |
| InChIKey | CKEIQUPFORBNCK-UHFFFAOYSA-N |
Chemical Property Profile of Butyronitrile, 4,4'-iminodi-
Property Insights of Butyronitrile, 4,4'-iminodi-
The XLogP value of -0.1 indicates that Butyronitrile, 4,4'-iminodi- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.6 Ų, Butyronitrile, 4,4'-iminodi- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyronitrile, 4,4'-iminodi- has 1 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 Butyronitrile, 4,4'-iminodi-?
The CAS number of Butyronitrile, 4,4'-iminodi- is 90556-21-1.
What is the molecular formula of Butyronitrile, 4,4'-iminodi-?
The molecular formula of Butyronitrile, 4,4'-iminodi- is C8H13N3.
What is the molecular weight of Butyronitrile, 4,4'-iminodi-?
The molecular weight of Butyronitrile, 4,4'-iminodi- is 151.11095 g/mol.
Where can I buy Butyronitrile, 4,4'-iminodi-?
You can request a quote for Butyronitrile, 4,4'-iminodi- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyronitrile, 4,4'-iminodi-?
Yes, CoreyChem provides custom synthesis services for Butyronitrile, 4,4'-iminodi- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.