Acidissiminin

Base Information

• Chemical Name: Acidissiminin
• CAS No.: 126005-91-2
• Molecular Formula: C43H65 N O4
• Molecular Weight: 659.9805
• DSSTox Substance ID: DTXSID801108047
• Nikkaji Number: J2.440.999F
• Metabolomics Workbench ID: 48275

Synonyms:Acidissiminin;Acidissimin;Acidissiminine;126005-91-2;O-Octadecanoylacidissiminol;[(2E)-1-[4-(2-benzamidoethyl)phenoxy]-3,7-dimethylocta-2,6-dien-4-yl] octadecanoate;CHEBI:176282;DTXSID801108047;(2E)-3,7-DIMETHYL-1-{4-[2-(PHENYLFORMAMIDO)ETHYL]PHENOXY}OCTA-2,6-DIEN-4-YL OCTADECANOATE;Octadecanoic acid, 1-[3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propenyl]-4-methyl-3-pentenyl ester, (E)-

Chemical Property of Acidissiminin

Chemical Property:

• Vapor Pressure: 6.43E-23mmHg at 25°C
• Boiling Point: 758.8°Cat760mmHg
• Flash Point: 412.7°C
• Density: 0.988g/cm³
• XLogP3: 14.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 28
• Exact Mass: 659.49135955
• Heavy Atom Count: 48
• Complexity: 877

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC(CC=C(C)C)C(=CCOC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2)C
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)OC(CC=C(C)C)/C(=C/COC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2)/C

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