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Home> Hot Product Listed S   > Sulfuric acid,monododecyl ester, aluminum salt (3:1)
1092679-51-0 structure

Sulfuric acid,monododecyl ester, aluminum salt (3:1)

Iupac Name:(Z)-but-2-enedioic acid;N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CAS No.:1092679-51-0
Molecular Weight:538.645
Molecular Formula:CL2H2OSR (isomer)
Names and Identifiers
Synonyms

aluminium dodecyl sulphate Aluminum lauryl sulfate Aluminum tris(dodecyl sulfate) Aluminumdodecyl sulfate (6CI,7CI) Dodecylalcohol, hydrogen sulfate, aluminum salt (3:1) Sulfuric acid, monododecyl ester, aluminum salt(8CI,9CI) Tris(dodecylsulfooxy)aluminum Tris(sulfuric acid dodecyl) aluminum salt

Inchi
InChI=1S/C25H34N4O2.C4H4O4/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21;5-3(6)1-2-4(7)8/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChkey
XIGAHNVCEFUYOV-BTJKTKAUSA-N
Canonical Smiles
COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.C(=CC(=O)O)C(=O)O
Properties
Density
3,17
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:538.645g/mol
  • Molecular Formula:CL2H2OSR
  • Compound Is Canonicalized:True
  • Exact Mass:538.279
  • Monoisotopic Mass:538.279
  • Complexity:665
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:124A^2
  • Heavy Atom Count:39
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcfB7uAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAABwAAAHgAACAAADQzBkgY//pMIFgCo ADf3fACCiCkxIiAJ2CE/bNiOZvLEuZuVMChsxxPY+aeYyACOAAAAAAAAEAAAAAAAAAAgAAAAAAAA AA==
 
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