2-Phenethyl-1,2,3,4,6,7,12,12a-octahydropyrazino(2',1':6,1)pyrido(3,4-b)indole

Base Information

• Chemical Name: 2-Phenethyl-1,2,3,4,6,7,12,12a-octahydropyrazino(2',1':6,1)pyrido(3,4-b)indole
• CAS No.: 63680-82-0
• Molecular Formula: C44H52N6O
• Molecular Weight: 680.9233
• DSSTox Substance ID: DTXSID20979966

Synonyms:2-Phenethyl-1,2,3,4,6,7,12,12a-octahydropyrazino(2',1':6,1)pyrido(3,4-b)indole;63680-82-0;Pyrazino(1',2':1,6)pyrido(3,4-b)indole, 1,2,3,4,6,7,12,12a-octahydro-2-phenethyl-, hemihydrate, dl-;DTXSID20979966;C22H25N3.1/2H2O;C22-H25-N3.1/2H2-O;LS-127743;2-(2-Phenylethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indole--water (2/1);Pyrazino[1',2':1,6]pyrido[3,4-b]indole, 1,2,3,4,6,7,12,12a-octahydro-2-(2-phenylethyl)-, hemihydrate, (.+.)-

Chemical Property of 2-Phenethyl-1,2,3,4,6,7,12,12a-octahydropyrazino(2',1':6,1)pyrido(3,4-b)indole

Chemical Property:

• Boiling Point: 513°Cat760mmHg
• Flash Point: 264°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 680.42026030
• Heavy Atom Count: 51
• Complexity: 447

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CC3=C(CC2CN1CCC4=CC=CC=C4)C5=CC=CC=C5N3.C1CN2CC3=C(CC2CN1CCC4=CC=CC=C4)C5=CC=CC=C5N3.O

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