(Z)-but-2-enedioate;1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide

Base Information

• Chemical Name: (Z)-but-2-enedioate;1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide
• CAS No.: 100482-23-3
• Molecular Formula: C28H38N4O•C4H4O4
• Molecular Weight: 562.78
• Mol file: 100482-23-3.mol

Synonyms:

Chemical Property of (Z)-but-2-enedioate;1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide

Chemical Property:

• Vapor Pressure: 3.93E-16mmHg at 25°C
• Boiling Point: 637.1°C at 760 mmHg
• Flash Point: 339.1°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 562.31552045
• Heavy Atom Count: 41
• Complexity: 724

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N.C(=CC(=O)[O-])C(=O)[O-]
• Isomeric SMILES: C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N.C(=C\C(=O)[O-])\C(=O)[O-]