Nbduq

Base Information

• Chemical Name: Nbduq
• CAS No.: 119110-36-0
• Molecular Formula: C70H102 N4 O9
• Molecular Weight: 1143.58
• Mol file: 119110-36-0.mol

Synonyms:4-(N-(acetoxyethyl)-N-methylamino)-7-nitro-2,1,3-benzoxadiazole ubiquinone;NBDUQ

Chemical Property of Nbduq

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1032.8°Cat760mmHg
• Flash Point: 578.4°C
• PSA: 162.20000
• Density: 1.052g/cm³
• LogP: 19.79100
• XLogP3: 21.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 39
• Exact Mass: 1142.76468084
• Heavy Atom Count: 83
• Complexity: 2260

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1OCC(=O)OCCN(C)C2=CC=C(C3=NON=C23)[N+](=O)[O-])OC)OC)O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
• Isomeric SMILES: CC1=C(C(=C(C(=C1OCC(=O)OCCN(C)C2=CC=C(C3=NON=C23)[N+](=O)[O-])OC)OC)O)C/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CCC=C(C)C