3-((2-Butyl-2-methyl-1,3-benzodioxol-5-yl)amino)-1(3H)-isobenzofuranone

Base Information

• Chemical Name: 3-((2-Butyl-2-methyl-1,3-benzodioxol-5-yl)amino)-1(3H)-isobenzofuranone
• CAS No.: 64179-23-3
• Molecular Formula: C20H21 N O4
• Molecular Weight: 339.385
• DSSTox Substance ID: DTXSID70982687

Synonyms:3-((2-Butyl-2-methyl-1,3-benzodioxol-5-yl)amino)-1(3H)-isobenzofuranone;1(3H)-Isobenzofuranone, 3-((2-butyl-2-methyl-1,3-benzodioxol-5-yl)amino)-;64179-23-3;DTXSID70982687;LS-84347;3-[(2-Butyl-2-methyl-2H-1,3-benzodioxol-5-yl)amino]-2-benzofuran-1(3H)-one

Chemical Property of 3-((2-Butyl-2-methyl-1,3-benzodioxol-5-yl)amino)-1(3H)-isobenzofuranone

Chemical Property:

• Vapor Pressure: 1.11E-10mmHg at 25°C
• Boiling Point: 514.1°Cat760mmHg
• PKA: 1.38±0.40(Predicted)
• Flash Point: 264.7°C
• PSA: 56.79000
• Density: 1.251g/cm³
• LogP: 4.71830
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 339.14705815
• Heavy Atom Count: 25
• Complexity: 498

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1(OC2=C(O1)C=C(C=C2)NC3C4=CC=CC=C4C(=O)O3)C

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