4-(1-Ethyl-3-piperidinyl)-1H-indole (E)-2-butenedioate (2:1)

Base Information

• Chemical Name: 4-(1-Ethyl-3-piperidinyl)-1H-indole (E)-2-butenedioate (2:1)
• CAS No.: 82439-15-4
• Molecular Formula: C34H44N4O4
• Molecular Weight: 572.746
• Mol file: 82439-15-4.mol

Synonyms:82439-15-4;4-(1-Ethyl-3-piperidinyl)-1H-indole (E)-2-butenedioate (2:1);4-(1-Ethyl-3-piperidyl)-1H-indole fumarate (2:1);1H-Indole, 4-(1-ethyl-3-piperidinyl)-, (E)-2-butenedioate (2:1);4-(1-Ethyl-3-piperidinyl)-1H-indole (2E)-2-butenedioate (2:1);C30H40N4.C4H4O4;C30-H40-N4.C4-H4-O4;LS-83096

Chemical Property of 4-(1-Ethyl-3-piperidinyl)-1H-indole (E)-2-butenedioate (2:1)

Chemical Property:

• Vapor Pressure: 3.01E-06mmHg at 25°C
• Boiling Point: 388.7°C at 760 mmHg
• Flash Point: 188.9°C
• PSA: 112.66000
• LogP: 6.32200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 572.33625590
• Heavy Atom Count: 42
• Complexity: 372

Purity/Quality:

1H-INDOLE, 4-(1-ETHYL-3-PIPERIDINYL)-, (E)-2-BUTENEDIOATE (2:1) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1CCCC(C1)C2=C3C=CNC3=CC=C2.CCN1CCCC(C1)C2=C3C=CNC3=CC=C2.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CCN1CCCC(C1)C2=C3C=CNC3=CC=C2.CCN1CCCC(C1)C2=C3C=CNC3=CC=C2.C(=C/C(=O)O)\C(=O)O