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2-Heptyl-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulphonatopropyl)-2-imidazolinium, monosodium salt

HCID 84375
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Basic information

CAS
14351-00-9
Standard SMILES
CCCCCCCC1=NCC[N+]1(CCO)CC(O)CS(=O)(=O)[O-].[Na+].[OH-]
InChIKey
APRZRICSOILHPK-UHFFFAOYSA-M
Molecular formula
C15H31N2NaO6S
Average molar mass
390.5 g/mol
Monoisotopic mass
390.18005217

Names & identifiers

Preferred name
2-Heptyl-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulphonatopropyl)-2-imidazolinium, monosodium salt
IUPAC
sodium;3-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxypropane-1-sulfonate;hydroxide
English name
2-heptyl-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulphonatopropyl)-2-imidazolinium, monosodium salt
Molecular formula
C15H30N2NaO5S
Molecular weight
373.46387

Names & synonyms

14351-00-92-Heptyl-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulphonatopropyl)-2-imidazolinium, monosodium saltEINECS 238-308-4APRZRICSOILHPK-UHFFFAOYSA-MDTXSID101374170sodium;3-[2-heptyl-1-(2-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]-2-hydroxypropane-1-sulfonate;hydroxide2-Imidazolinium, 2-heptyl-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulfopropyl)-, hydroxide, monosodium salt

Database identifiers

CAS
14351-00-9
PubChem CID
84375
DTXSID
DTXSID101374170
EC Number
238-308-4

Properties

Computed structural properties

Topological polar surface area
119 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
25
Formal charge
0
Complexity
461

Chemistry & industry

Suppliers1 total

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

Related reactions

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Compound notes

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