Sodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-nonyl-1H-imidazolium dodecyl sulphate

HCID 84469

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Basic information

CAS: 14482-97-4
Standard SMILES: CCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)[O-].CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
InChIKey: CBRIUKZILXTQDQ-UHFFFAOYSA-M
Molecular formula: C28H55N2NaO7S
Average molar mass: 586.8 g/mol
Monoisotopic mass: 586.36276755

Names & identifiers

Preferred name: Sodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-nonyl-1H-imidazolium dodecyl sulphate
IUPAC: sodium;dodecyl sulfate;2-[1-(2-hydroxyethyl)-2-nonyl-4,5-dihydroimidazol-1-ium-1-yl]acetate
English name: sodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-nonyl-1H-imidazolium dodecyl sulphate
Molecular formula: C40H82N2NaO11S2
Molecular weight: 854.20565

Names & synonyms

14482-97-4Sodium 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-nonyl-1H-imidazolium dodecyl sulphateEINECS 238-480-0DTXSID60932419CBRIUKZILXTQDQ-UHFFFAOYSA-Msodium;dodecyl sulfate;2-[1-(2-hydroxyethyl)-2-nonyl-4,5-dihydroimidazol-1-ium-1-yl]acetateSodium dodecyl sulfate--[1-(2-hydroxyethyl)-2-nonyl-4,5-dihydro-1H-imidazol-1-ium-1-yl]acetate (1/1/1)

Database identifiers

CAS: 14482-97-4
PubChem CID: 84469
DTXSID: DTXSID60932419
EC Number: 238-480-0

Properties

Computed structural properties

Topological polar surface area: 148 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 22
Heavy atoms: 39
Formal charge: 0
Complexity: 569

Chemistry & industry

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DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

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