CID 62085

Base Information

• Chemical Name: CID 62085
• CAS No.: 54590-52-2
• Molecular Formula: C21H39NO4S
• Molecular Weight: 401.60366
• European Community (EC) Number: 259-249-0
• DSSTox Substance ID: DTXSID60886105
• Mol file: 54590-52-2.mol

Synonyms:54590-52-2;EINECS 259-249-0;1-aminopropan-2-ol;4-dodecylbenzenesulfonic acid;p-Dodecylbenzenesulphonic acid, compound with 1-aminopropan-2-ol (1:1);C18H30O3S.C3H9NO;DTXSID60886105;NA9127;C18-H30-O3-S.C3-H9-N-O

Chemical Property of CID 62085

Chemical Property:

• Vapor Pressure: 4.43E-14mmHg at 25°C
• Boiling Point: 575.4°C at 760 mmHg
• Flash Point: 301.8°C
• PSA: 109.00000
• LogP: 6.50370
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 13
• Exact Mass: 401.25997990
• Heavy Atom Count: 27
• Complexity: 374

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CC(CN)O

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