Acrolein, DAIH derivative

Base Information

• Chemical Name: Acrolein, DAIH derivative
• CAS No.: 101611-80-7
• Molecular Formula: C26H20 N2 O2
• Molecular Weight: 392.45
• European Community (EC) Number: 635-177-9
• Mol file: 101611-80-7.mol

Synonyms:Acrolein, DAIH derivative;101611-80-7;2-Propenal, 2-[2-(2,2-diphenylacetyl)-2,3-dihydro-3-oxo-1H-inden-1-ylidene]hydrazone;2-Diphenylacetyl-3-(2-propenylidene-hydrazono)indan-1-one;2-Diphenylacetyl-indan-1,3-dione-1-(2-propenylidene)hydrazone;AKOS025293967;J-000450

Chemical Property of Acrolein, DAIH derivative

Chemical Property:

• PSA: 58.86000
• LogP: 4.86120
• Storage Temp.: 2-8°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 392.152477885
• Heavy Atom Count: 30
• Complexity: 680

Purity/Quality:

99%min ^*data from raw suppliers

2-DIPHENYLACETYL-3-(2-PROPENYLIDENE-HYDRAZONO)INDAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,N
• Statements: 25-43-50
• Safety Statements: 36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC=NN=C1C(C(=O)C2=CC=CC=C21)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
• Isomeric SMILES: C=C/C=N/N=C\1/C(C(=O)C2=CC=CC=C21)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4