Basic information
- CAS
68630-91-1- Standard SMILES
CCCCCCCC1=[N+](CC(=O)[O-])CCN1CCN(CCC(=O)O)CCC(=O)O- InChIKey
GNVWZGDXBIMRBQ-UHFFFAOYSA-N- Molecular formula
- C20H35N3O6
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.25258584
Names & identifiers
- Preferred name
- 1h-imidazolium, 1-(2-(bis(2-carboxyethyl)amino)ethyl)-3-(carboxymethyl)-2-heptyl-4,5-dihydro-, inner salt
- IUPAC
- 2-[3-[2-[bis(2-carboxyethyl)amino]ethyl]-2-heptyl-4,5-dihydroimidazol-1-ium-1-yl]acetate
Names & synonyms
68630-91-1EINECS 271-924-11H-Imidazolium, 1-[2-[bis(2-carboxyethyl)amino]ethyl]-3-(carboxymethyl)-2-heptyl-4,5-dihydro-, inner saltDTXSID00717041-(N,N-Bis(carboxyethyl)amino)ethyl-2-heptyl-3-carboxymethylimidazoline, inner salt1H-Imidazolium, 1-(2-(bis(2-carboxyethyl)amino)ethyl)-3-(carboxymethyl)-2-heptyl-4,5-dihydro-, inner salt1H-Imidazolium, 1-(2-(bis(2-carboxyethyl)amino)ethyl)-3-(carboxymethyl)-2-heptyl-4,5-dihydro-, hydroxide, inner saltRefChem:79810DTXCID20461772-(1-(2-(bis(2-carboxyethyl)amino)ethyl)-2-heptyl-4,5-dihydro-1H-imidazol-3-ium-3-yl)acetateGNVWZGDXBIMRBQ-UHFFFAOYSA-N(3-{2-[Bis(2-carboxyethyl)amino]ethyl}-2-heptyl-4,5-dihydro-1H-imidazol-3-ium-1-yl)acetate
Show more names
Dihydrogen 1-(2-(bis(2-carboxylatoethyl)amino)ethyl)-3-(carboxylatomethyl)-2-heptyl-4,5-dihydro-1H-imidazolium
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 555
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Imidazolium, 1-[2-[bis(2-carboxyethyl)amino]ethyl]-3-(carboxymethyl)-2-heptyl-4,5-dihydro-, inner salt: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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