1,2,3,4,6,11,12,12a-Octahydropyrazino(1,2-b)(2)benzazepine (E)-2-butenedioate (1:2)

Base Information

• Chemical Name: 1,2,3,4,6,11,12,12a-Octahydropyrazino(1,2-b)(2)benzazepine (E)-2-butenedioate (1:2)
• CAS No.: 58350-23-5
• Molecular Formula: C21H26N2O8
• Molecular Weight: 434.4397
• Mol file: 58350-23-5.mol

Synonyms:1,2,3,4,6,11,12,12a-Octahydropyrazino(1,2-b)(2)benzazepine (E)-2-butenedioate (1:2);Pyrazino(1,2-b)(2)benzazepine, 1,2,3,4,6,11,12,12a-octahydro-, (E)-2-butenedioate (1:2);58350-23-5;C13H18N2.2C4H4O4;C13-H18-N2.2C4-H4-O4;LS-127631

Chemical Property of 1,2,3,4,6,11,12,12a-Octahydropyrazino(1,2-b)(2)benzazepine (E)-2-butenedioate (1:2)

Chemical Property:

• Vapor Pressure: 0.000156mmHg at 25°C
• Boiling Point: 331.4°Cat760mmHg
• Flash Point: 148.4°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 434.16891579
• Heavy Atom Count: 31
• Complexity: 336

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2CN3C1CNCC3.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1C2N(CC3=CC=CC=C3C1)CCNC2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O