Hexahydro-1,4-dinitroso-1H-1,4-diazepine
TL;DR: Hexahydro-1,4-dinitroso-1H-1,4-diazepine (CAS 55557-00-1) is a chemical compound with molecular formula C5H10N4O2 and molecular weight 158.08037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dinitroso-1,4-diazepane
Also Known As: Dinitrosohomopiperazine, 1,4-Dinitroso-1,4-diazepane, N,N-Dinitrosohomopiperazine, DNHP, Fasudil impurity 67
Technical Specifications
| Molecular Formula | C5H10N4O2 |
| Molecular Weight | 158.08037 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 65.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.08037 Da |
| Heavy Atoms | 11 |
| Complexity | 135.0 |
| Vapor Pressure | 0.00008 [mmHg] |
| SMILES | C1CN(CCN(C1)N=O)N=O |
| InChIKey | FUCMFBXWLUGVIZ-UHFFFAOYSA-N |
Chemical Property Profile of Hexahydro-1,4-dinitroso-1H-1,4-diazepine
Property Insights of Hexahydro-1,4-dinitroso-1H-1,4-diazepine
The XLogP value of -0.5 indicates that Hexahydro-1,4-dinitroso-1H-1,4-diazepine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexahydro-1,4-dinitroso-1H-1,4-diazepine. Following Lipinski's Rule of Five, Hexahydro-1,4-dinitroso-1H-1,4-diazepine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexahydro-1,4-dinitroso-1H-1,4-diazepine?
The CAS number of Hexahydro-1,4-dinitroso-1H-1,4-diazepine is 55557-00-1.
What is the molecular formula of Hexahydro-1,4-dinitroso-1H-1,4-diazepine?
The molecular formula of Hexahydro-1,4-dinitroso-1H-1,4-diazepine is C5H10N4O2.
What is the molecular weight of Hexahydro-1,4-dinitroso-1H-1,4-diazepine?
The molecular weight of Hexahydro-1,4-dinitroso-1H-1,4-diazepine is 158.08037 g/mol.
Where can I buy Hexahydro-1,4-dinitroso-1H-1,4-diazepine?
You can request a quote for Hexahydro-1,4-dinitroso-1H-1,4-diazepine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexahydro-1,4-dinitroso-1H-1,4-diazepine?
Yes, CoreyChem provides custom synthesis services for Hexahydro-1,4-dinitroso-1H-1,4-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.