1,3-Dioxo-alpha-isobutyl-2H-isoindoline-2-acetic acid piperazine (salt)

Base Information

• Chemical Name: 1,3-Dioxo-alpha-isobutyl-2H-isoindoline-2-acetic acid piperazine (salt)
• CAS No.: 58248-07-0
• Molecular Formula: C32H40N4O8
• Molecular Weight: 347.42
• DSSTox Substance ID: DTXSID20973803
• Mol file: 58248-07-0.mol

Synonyms:58248-07-0;1,3-Dioxo-alpha-isobutyl-2H-isoindoline-2-acetic acid piperazine (salt);DTXSID20973803;LS-84488;2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid--piperazine (2/1)

Chemical Property of 1,3-Dioxo-alpha-isobutyl-2H-isoindoline-2-acetic acid piperazine (salt)

Chemical Property:

• Vapor Pressure: 4.95E-08mmHg at 25°C
• Boiling Point: 426.4°C at 760 mmHg
• Flash Point: 211.7°C
• PSA: 173.42000
• LogP: 3.27640
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 608.28461425
• Heavy Atom Count: 44
• Complexity: 407

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O.CC(C)CC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O.C1CNCCN1

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