2-((4-(1-Pyrrolidinyl)-2-butynyl)oxy)-1H-isoindole-1,3(2H)-dione ethanedioate (2:1)

Base Information

• Chemical Name: 2-((4-(1-Pyrrolidinyl)-2-butynyl)oxy)-1H-isoindole-1,3(2H)-dione ethanedioate (2:1)
• CAS No.: 74500-82-6
• Molecular Formula: C34H34N4O10
• Molecular Weight: 374.35
• DSSTox Substance ID: DTXSID30996003

Synonyms:74500-82-6;2-((4-(1-Pyrrolidinyl)-2-butynyl)oxy)-1H-isoindole-1,3(2H)-dione ethanedioate (2:1);1H-Isoindole-1,3(2H)-dione, 2-((4-(1-pyrrolidinyl)-2-butynyl)oxy)-, ethanedioate (2:1);C16H16N2O3.C2H2O4;C16-H16-N2-O3.C2-H2-O4;DTXSID30996003;LS-84639;Oxalic acid--2-{[4-(pyrrolidin-1-yl)but-2-yn-1-yl]oxy}-1H-isoindole-1,3(2H)-dione (1/2)

Chemical Property of 2-((4-(1-Pyrrolidinyl)-2-butynyl)oxy)-1H-isoindole-1,3(2H)-dione ethanedioate (2:1)

Chemical Property:

• Vapor Pressure: 7.84E-08mmHg at 25°C
• Boiling Point: 436.8°C at 760 mmHg
• Flash Point: 218°C
• PSA: 124.45000
• LogP: 0.34480
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 658.22749329
• Heavy Atom Count: 48
• Complexity: 532

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CC#CCON2C(=O)C3=CC=CC=C3C2=O.C1CCN(C1)CC#CCON2C(=O)C3=CC=CC=C3C2=O.C(=O)(C(=O)O)O

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