9-Amino-1,2,3,4,4a,5-hexahydro-3-methyl-7H-pyrazino[1,2-a][4,1]benzoxazepin-7-one

Base Information

• Chemical Name: 9-Amino-1,2,3,4,4a,5-hexahydro-3-methyl-7H-pyrazino[1,2-a][4,1]benzoxazepin-7-one
• CAS No.: 85155-84-6
• Molecular Formula: C₁₃H₁₇N₃O₂
• Molecular Weight: 247.297
• DSSTox Substance ID: DTXSID301132459
• Mol file: 85155-84-6.mol

Synonyms:DTXSID301132459;9-Amino-1,2,3,4,4a,5-hexahydro-3-methyl-7H-pyrazino[1,2-a][4,1]benzoxazepin-7-one;85155-84-6

Chemical Property of 9-Amino-1,2,3,4,4a,5-hexahydro-3-methyl-7H-pyrazino[1,2-a][4,1]benzoxazepin-7-one

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 247.132076794
• Heavy Atom Count: 18
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN2C(C1)COC(=O)C3=C2C=CC(=C3)N