1-Phenyl-3,5,8-trimethyl-1,4,5,6,7,8-hexahydropyrazolo(3,4-e)(1,4)diazepin-4,7-dione

Base Information

• Chemical Name: 1-Phenyl-3,5,8-trimethyl-1,4,5,6,7,8-hexahydropyrazolo(3,4-e)(1,4)diazepin-4,7-dione
• CAS No.: 126567-68-8
• Molecular Formula: C15H16 N4 O2
• Molecular Weight: 284.31
• DSSTox Substance ID: DTXSID40155220
• Wikidata: Q83023021
• Mol file: 126567-68-8.mol

Synonyms:1-phenyl-3,5,8-trimethyl-1,4,5,6,7,8-hexahydropyrazolo(3,4-e)(1,4)diazepin-4,7-dione;1-PTHPDD

Chemical Property of 1-Phenyl-3,5,8-trimethyl-1,4,5,6,7,8-hexahydropyrazolo(3,4-e)(1,4)diazepin-4,7-dione

Chemical Property:

• Vapor Pressure: 1.3E-13mmHg at 25°C
• Boiling Point: 583.7°Cat760mmHg
• Flash Point: 306.8°C
• PSA: 58.44000
• Density: 1.3g/cm³
• LogP: 1.23200
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 284.12732577
• Heavy Atom Count: 21
• Complexity: 435

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C2=C1C(=O)N(CC(=O)N2C)C)C3=CC=CC=C3