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Reference substances

Reference substances

Currently viewing:
IUPAC name:
2-hydroxy-N,N-bis(2-hydroxyethyl)ethanaminium hexadecyl sulfate

Inventory

EC number:
224-785-6
EC name:
Tris(2-hydroxyethyl)ammonium hexadecyl sulphate
CAS number:
4492-79-9
CAS number:
4492-79-9
Synonyms
Names:
1-Hexadecanol, hydrogen sulfate, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)
Sulfuric acid, monohexadecyl ester, compd.with 2,2',2''-nitrilotris[ethanol] (1:1) Sulfuric acid monohexadecyl ester triethanolamine salt TEA cetyl sulfate 1-Hexadecanol, hydrogen sulfate, compd.with 2,2',2''-nitrilotris[ethanol] (1:1)
Identifier:
IUPAC name
2-[bis(2-hydroxyethyl)amino]ethanol; hexadecyl hydrogen sulfate
Identifier:
other: InChl
InChI=1S/C16H34O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;8-4-1-7(2-5-9)3-6-10/h2-16H2,1H3,(H,17,18,19);8-10H,1-6H2
Identifier:
other: SMILES notation
OCCN(CCO)CCO.O=S(OCCCCCCCCCCCCCCCC)(O)=O

Molecular and structural information

Molecular formula:
C16H34O4S.C6H15NO3
Molecular weight:
471.692
SMILES notation:
CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO
InChl:
InChI=1/C16H34O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;8-4-1-7(2-5-9)3-6-10/h2-16H2,1H3,(H,17,18,19);8-10H,1-6H2
Structural formula:
Chemical structure

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