Einecs 268-813-5

Base Information

• Chemical Name: Einecs 268-813-5
• CAS No.: 68140-63-6
• Molecular Formula: C58H107N3O7S
• Molecular Weight: 990.5511
• European Community (EC) Number: 268-813-5
• Mol file: 68140-63-6.mol

Synonyms:EINECS 268-813-5;68140-63-6;(9Z,12Z)-Octadeca-9,12-dienoic acid, dimer, compound with N-(2-aminoethyl)ethane-1,2-diamine dodecylbenzenesulphonate;(C18H32O2)2.xC18H30O3S.xC4H13N3;(C18-H32-O2)2.x-C18-H30-O3-S.x-C4-H13-N3

Chemical Property of Einecs 268-813-5

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 44
• Exact Mass: 989.78297393
• Heavy Atom Count: 69
• Complexity: 652

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCCC=CCC=CCCCCCCCC(=O)O.CCCCCC=CCC=CCCCCCCCC(=O)O.C(CNCCN)N
• Isomeric SMILES: CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.C(N)CNCCN