Butyronitrile, 4,4,4-trinitro-
TL;DR: Butyronitrile, 4,4,4-trinitro- (CAS 15473-29-7) is a chemical compound with molecular formula C4H4N4O6 and molecular weight 204.01308 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,4-trinitrobutanenitrile
Also Known As: 4,4,4-Trinitrobutanenitrile, 4,4,4-Trinitrobutyronitrile, Butanenitrile, 4,4,4-trinitro-, BUTYRONITRILE, 4,4,4-TRINITRO-, BRN 1913384
Technical Specifications
| Molecular Formula | C4H4N4O6 |
| Molecular Weight | 204.01308 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.01308 Da |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
| SMILES | C(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C#N |
| InChIKey | XOUYZYXSMDSAOU-UHFFFAOYSA-N |
Chemical Property Profile of Butyronitrile, 4,4,4-trinitro-
Property Insights of Butyronitrile, 4,4,4-trinitro-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyronitrile, 4,4,4-trinitro-. The TPSA of 161.0 Ų indicates high polarity, suggesting Butyronitrile, 4,4,4-trinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyronitrile, 4,4,4-trinitro- has 0 hydrogen bond donor(s) and 7 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, 4,4,4-trinitro-?
The CAS number of Butyronitrile, 4,4,4-trinitro- is 15473-29-7.
What is the molecular formula of Butyronitrile, 4,4,4-trinitro-?
The molecular formula of Butyronitrile, 4,4,4-trinitro- is C4H4N4O6.
What is the molecular weight of Butyronitrile, 4,4,4-trinitro-?
The molecular weight of Butyronitrile, 4,4,4-trinitro- is 204.01308 g/mol.
Where can I buy Butyronitrile, 4,4,4-trinitro-?
You can request a quote for Butyronitrile, 4,4,4-trinitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyronitrile, 4,4,4-trinitro-?
Yes, CoreyChem provides custom synthesis services for Butyronitrile, 4,4,4-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.