1-(2-(2-Carboxyethoxy)ethyl)-1-(2-carboxyethyl)-2-heptylimidazolin-2-ium hydroxide

HCID 84384

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Basic information

CAS: 14356-50-4
Standard SMILES: CCCCCCCC1=NCC[N+]1(CCOCCC(=O)O)CCC(=O)O.[OH-]
InChIKey: BZJZWPWYDINUPI-UHFFFAOYSA-N
Molecular formula: C18H34N2O6
Average molar mass: 374.5 g/mol
Monoisotopic mass: 374.24168681

Names & identifiers

Preferred name: 1-(2-(2-Carboxyethoxy)ethyl)-1-(2-carboxyethyl)-2-heptylimidazolin-2-ium hydroxide
IUPAC: 3-[1-[2-(2-carboxyethoxy)ethyl]-2-heptyl-4,5-dihydroimidazol-1-ium-1-yl]propanoic acid hydroxide

Names & synonyms

14356-50-41-(2-(2-Carboxyethoxy)ethyl)-1-(2-carboxyethyl)-2-heptylimidazolin-2-ium hydroxide1-[2-(2-carboxyethoxy)ethyl]-1-(2-carboxyethyl)-2-heptylimidazolin-2-ium hydroxideEINECS 238-319-43-[1-[2-(2-carboxyethoxy)ethyl]-2-heptyl-4,5-dihydroimidazol-1-ium-1-yl]propanoic acid;hydroxide

Database identifiers

CAS: 14356-50-4
PubChem CID: 84384
EC Number: 238-319-4

Properties

Computed structural properties

Topological polar surface area: 97.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 15
Heavy atoms: 26
Formal charge: 0
Complexity: 453

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