4,15,21,32,37,48-Hexaoxa-1,18-diazabicyclo(16.16.16)pentacontane-5,14,22,31,38,47-hexone

Base Information

• Chemical Name: 4,15,21,32,37,48-Hexaoxa-1,18-diazabicyclo(16.16.16)pentacontane-5,14,22,31,38,47-hexone
• CAS No.: 94088-54-7
• Molecular Formula: C42H72N2O12
• Molecular Weight: 797.02728
• European Community (EC) Number: 302-055-9
• DSSTox Substance ID: DTXSID50240474
• Wikidata: Q83123353
• Mol file: 94088-54-7.mol

Synonyms:4,15,21,32,37,48-Hexaoxa-1,18-diazabicyclo(16.16.16)pentacontane-5,14,22,31,38,47-hexone;94088-54-7;EINECS 302-055-9;4,15,21,32,37,48-HEXAOXA-1,18-DIAZABICYCLO[16.16.16]PENTACONTANE-5,14,22,31,38,47-HEXONE;DTXSID50240474;C42H72N2O12;C42-H72-N2-O12

Chemical Property of 4,15,21,32,37,48-Hexaoxa-1,18-diazabicyclo(16.16.16)pentacontane-5,14,22,31,38,47-hexone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1010.1°Cat760mmHg
• Flash Point: 564.7°C
• PSA: 164.28000
• Density: 1.13g/cm³
• LogP: 6.11500
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 0
• Exact Mass: 796.50852574
• Heavy Atom Count: 56
• Complexity: 887

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCC(=O)OCCN2CCOC(=O)CCCCCCCCC(=O)OCCN(CCOC(=O)CCC1)CCOC(=O)CCCCCCCCC(=O)OCC2

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