2-(beta-Hydroxyphenethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine difumarate

Base Information

• Chemical Name: 2-(beta-Hydroxyphenethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine difumarate
• CAS No.: 58350-16-6
• Molecular Formula: C29H34N2O9
• Molecular Weight: 554.5883

Synonyms:2-(beta-Hydroxyphenethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine difumarate;Pyrazino(2,1-b)(3)benzazepine-2(1H)-ethanol, 3,4,6,7,12,12a-hexahydro-alpha-phenyl-, (E)-2-butenedioate (1:2) (salt);58350-16-6;C21H26N2O.2C4H4O4;LS-127629;C21-H26-N2-O.2C4-H4-O4

Chemical Property of 2-(beta-Hydroxyphenethyl)-1,2,3,4,6,7,12,12a-octahydropyrazino(2,1-b)(3)benzazepine difumarate

Chemical Property:

• Vapor Pressure: 8.21E-11mmHg at 25°C
• Boiling Point: 499.9°Cat760mmHg
• Flash Point: 258.1°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 554.22643067
• Heavy Atom Count: 40
• Complexity: 514

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CCN(CC2C(C3=CC=CC=C31)C4=CC=CC=C4)CCO.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1C2=CC=CC=C2C(C3N(C1)CCN(C3)CCO)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

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