Butyramide, 4,4,4-trinitro-
TL;DR: Butyramide, 4,4,4-trinitro- (CAS 13000-42-5) is a chemical compound with molecular formula C4H6N4O7 and molecular weight 222.02365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4,4-trinitrobutanamide
Also Known As: trinitrobutyramide, 4,4,4-trinitrobutanamide, 4,4,4-Trinitrobutyramide, BUTYRAMIDE, 4,4,4-TRINITRO-, J3.594.193B
Technical Specifications
| Molecular Formula | C4H6N4O7 |
| Molecular Weight | 222.02365 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 181.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.02365 Da |
| Heavy Atoms | 15 |
| Complexity | 272.0 |
| SMILES | C(CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)N |
| InChIKey | HNLKKBHYPDVWGZ-UHFFFAOYSA-N |
Chemical Property Profile of Butyramide, 4,4,4-trinitro-
Property Insights of Butyramide, 4,4,4-trinitro-
The XLogP value of -0.8 indicates that Butyramide, 4,4,4-trinitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.0 Ų indicates high polarity, suggesting Butyramide, 4,4,4-trinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyramide, 4,4,4-trinitro- has 1 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 Butyramide, 4,4,4-trinitro-?
The CAS number of Butyramide, 4,4,4-trinitro- is 13000-42-5.
What is the molecular formula of Butyramide, 4,4,4-trinitro-?
The molecular formula of Butyramide, 4,4,4-trinitro- is C4H6N4O7.
What is the molecular weight of Butyramide, 4,4,4-trinitro-?
The molecular weight of Butyramide, 4,4,4-trinitro- is 222.02365 g/mol.
Where can I buy Butyramide, 4,4,4-trinitro-?
You can request a quote for Butyramide, 4,4,4-trinitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyramide, 4,4,4-trinitro-?
Yes, CoreyChem provides custom synthesis services for Butyramide, 4,4,4-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.