3-((3-(Acetyloxy)-4-(hexadecyloxy)butyl)sulfonyl)-N,N,N-trimethyl-1-propanaminium

Base Information

• Chemical Name: 3-((3-(Acetyloxy)-4-(hexadecyloxy)butyl)sulfonyl)-N,N,N-trimethyl-1-propanaminium
• CAS No.: 97012-62-9
• Molecular Formula: C28H58 N O5 S . Cl
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID40914213
• ChEMBL ID: CHEMBL283877
• Mol file: 97012-62-9.mol

Synonyms:3-((3-(acetyloxy)-4-(hexadecyloxy)butyl)sulfonyl)-N,N,N-trimethyl-1-propanaminium;3-AHBSTP chloride

Chemical Property of 3-((3-(Acetyloxy)-4-(hexadecyloxy)butyl)sulfonyl)-N,N,N-trimethyl-1-propanaminium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 78.05000
• Density: g/cm³
• LogP: 4.40200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 26
• Exact Mass: 555.3724228
• Heavy Atom Count: 36
• Complexity: 595

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOCC(CCS(=O)(=O)CCC[N+](C)(C)C)OC(=O)C.[Cl-]

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