3-[Dimethyl(nonyl)azaniumyl]propyl sulfate

Base Information

• Chemical Name: 3-[Dimethyl(nonyl)azaniumyl]propyl sulfate
• CAS No.: 92764-21-1
• Molecular Formula: C₁₄H₃₁NO₄S
• Molecular Weight: 309.47
• Hs Code.: 2923900090
• European Community (EC) Number: 623-058-4
• DSSTox Substance ID: DTXSID00577085
• Wikidata: Q82467007
• Mol file: 92764-21-1.mol

Synonyms:92764-21-1;3-[dimethyl(nonyl)azaniumyl]propyl sulfate;N,N-Dimethyl-N-[3-(sulfooxy)propyl]-1-nonanaminium hydroxide inner salt;SCHEMBL6556824;DTXSID00577085

Chemical Property of 3-[Dimethyl(nonyl)azaniumyl]propyl sulfate

Chemical Property:

• Melting Point: 230 °C (dec.)(lit.)
• PSA: 92.53000
• LogP: 3.32560
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 309.19737964
• Heavy Atom Count: 20
• Complexity: 309

Purity/Quality:

N,N-DIMETHYL-N-[3-(SULFOOXY)PROPYL]-1-NONANAMINIUM HYDROXIDE, INNER SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC[N+](C)(C)CCCOS(=O)(=O)[O-]

Technology Process of 3-[Dimethyl(nonyl)azaniumyl]propyl sulfate

There total 1 articles about 3-[Dimethyl(nonyl)azaniumyl]propyl sulfate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

N,N-dimethylnonylamine (17373-27-2) + 1,3,2-dioxathiane 2,2-dioxide (1073-05-8) → 3-(nonyldimethylammonio)propyl sulfate (92764-21-1)

Guidance literature:

In acetone; for 1h; Heating;

DOI:10.1021/j150669a061

upstream raw materials:

N,N-dimethylnonylamine

1,3,2-dioxathiane 2,2-dioxide

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