N',N'-dimethyl-N-[5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-yl]methanediamine

Base Information

• Chemical Name: N',N'-dimethyl-N-[5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-yl]methanediamine
• CAS No.: 55738-54-0
• Molecular Formula: C11H11 N5 O4
• Molecular Weight: 277.27
• DSSTox Substance ID: DTXSID7020502
• ChEMBL ID: CHEMBL265931
• Mol file: 55738-54-0.mol

Synonyms:CHEMBL265931;DTXSID7020502;Q63088197

Chemical Property of N',N'-dimethyl-N-[5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-yl]methanediamine

Chemical Property:

• Refractive Index: 1.7000 (estimate)
• Boiling Point: 424.9°Cat760mmHg
• PKA: 2.00±0.50(Predicted)
• Flash Point: 210.8°C
• PSA: 113.15000
• Density: 1.422g/cm³
• LogP: 2.26840
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 279.09675391
• Heavy Atom Count: 20
• Complexity: 359

Purity/Quality:

99% ^*data from raw suppliers

TRANS-2-((DIMETHYLAMINO)METHYLIMINO)-5-(2-(5-NITRO-2-FURYL)VINYL)-1,3,4-OXADIAZOLE) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CNC1=NN=C(O1)C=CC2=CC=C(O2)[N+](=O)[O-]
• Isomeric SMILES: CN(C)CNC1=NN=C(O1)/C=C/C2=CC=C(O2)[N+](=O)[O-]