Butyronitrile, 4-(dibutylamino)-, picrate
TL;DR: Butyronitrile, 4-(dibutylamino)-, picrate (CAS 73747-28-1) is a chemical compound with molecular formula C18H27N5O7 and molecular weight 425.19104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dibutyl(3-cyanopropyl)azanium;2,4,6-trinitrophenolate
Also Known As: 4-(Dibutylamino)butyronitrile picrate, BUTYRONITRILE, 4-(DIBUTYLAMINO)-, PICRATE, dibutyl(3-cyanopropyl)azanium; 2,4,6-trinitrophenolate, Butanenitrile, 4-(dibutylamino)-, compd. with 2,4,6-trinitrophenol (1:1), N-butyl-N-(3-cyanopropyl)butan-1-aminium 2,4,6-trinitrophenolate
Technical Specifications
| Molecular Formula | C18H27N5O7 |
| Molecular Weight | 425.19104 g/mol |
| XLogP | 2.26 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.19104 Da |
| Heavy Atoms | 30 |
| Complexity | 441.0 |
| SMILES | CCCC[NH+](CCCC)CCCC#N.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CHLOOOFCNOZETE-UHFFFAOYSA-N |
Chemical Property Profile of Butyronitrile, 4-(dibutylamino)-, picrate
Property Insights of Butyronitrile, 4-(dibutylamino)-, picrate
The XLogP value of 2.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyronitrile, 4-(dibutylamino)-, picrate. The TPSA of 189.0 Ų indicates high polarity, suggesting Butyronitrile, 4-(dibutylamino)-, picrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyronitrile, 4-(dibutylamino)-, picrate has 1 hydrogen bond donor(s) and 8 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-(dibutylamino)-, picrate?
The CAS number of Butyronitrile, 4-(dibutylamino)-, picrate is 73747-28-1.
What is the molecular formula of Butyronitrile, 4-(dibutylamino)-, picrate?
The molecular formula of Butyronitrile, 4-(dibutylamino)-, picrate is C18H27N5O7.
What is the molecular weight of Butyronitrile, 4-(dibutylamino)-, picrate?
The molecular weight of Butyronitrile, 4-(dibutylamino)-, picrate is 425.19104 g/mol.
Where can I buy Butyronitrile, 4-(dibutylamino)-, picrate?
You can request a quote for Butyronitrile, 4-(dibutylamino)-, picrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyronitrile, 4-(dibutylamino)-, picrate?
Yes, CoreyChem provides custom synthesis services for Butyronitrile, 4-(dibutylamino)-, picrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.