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

Base Information

• Chemical Name: 3-((2,2-Dimethyl-1,3-benzodioxol-5-yl)amino)-1(3H)-isobenzofuranone
• CAS No.: 64179-25-5
• Molecular Formula: C17H15 N O4
• Molecular Weight: 297.3053
• DSSTox Substance ID: DTXSID90982689
• Mol file: 64179-25-5.mol

Synonyms:3-((2,2-Dimethyl-1,3-benzodioxol-5-yl)amino)-1(3H)-isobenzofuranone;1(3H)-Isobenzofuranone, 3-((2,2-dimethyl-1,3-benzodioxol-5-yl)amino)-;64179-25-5;DTXSID90982689;LS-84362;3-[(2,2-Dimethyl-2H-1,3-benzodioxol-5-yl)amino]-2-benzofuran-1(3H)-one

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

Chemical Property:

• Vapor Pressure: 1.14E-09mmHg at 25°C
• Boiling Point: 487.9°C at 760 mmHg
• PKA: 1.38±0.40(Predicted)
• Flash Point: 248.9°C
• PSA: 56.79000
• Density: 1.347g/cm³
• LogP: 3.54800
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 297.10010796
• Heavy Atom Count: 22
• Complexity: 452

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OC2=C(O1)C=C(C=C2)NC3C4=CC=CC=C4C(=O)O3)C