Benzyl-(2-hydroxydodecyl)-dimethylazanium;benzoate

Base Information

• Chemical Name: Benzyl-(2-hydroxydodecyl)-dimethylazanium;benzoate
• CAS No.: 113694-52-3
• Molecular Weight: 0
• European Community (EC) Number: 402-610-6
• DSSTox Substance ID: DTXSID401334975
• Mol file: 113694-52-3.mol

Synonyms:benzyl-(2-hydroxydodecyl)-dimethylazanium;benzoate;113694-52-3;Benzenemethanaminium, N-(2-hydroxydodecyl)-N,N-dimethyl-, benzoate (salt);SCHEMBL1842295;DTXSID401334975;benzyl-2-hydroxydodecyl dimethylammonium benzoate;N-(2-Hydroxydodecyl)-N,N-dimethyl-benzenemethanaminium benzoate (1:1)

Chemical Property of Benzyl-(2-hydroxydodecyl)-dimethylazanium;benzoate

Chemical Property:

• Boiling Point: 554℃ (e)
• Water Solubility.: 600 mg l-1 (e)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 441.32429423
• Heavy Atom Count: 32
• Complexity: 369

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Hazard Codes: C,N
• Statements: 22-34-50/53
• Safety Statements: 26-28-36/37/39-45-60-61

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCC(C[N+](C)(C)CC1=CC=CC=C1)O.C1=CC=C(C=C1)C(=O)[O-]