Basic information
- CAS
744998-42-3- Standard SMILES
CCCCCCCC1=NCC[N+]1(CCOCC(=O)O)CC(=O)O- InChIKey
WDTLRSAAYRYIRX-UHFFFAOYSA-O- Molecular formula
- C16H29N2O5+
- Average molar mass
- 329.41 g/mol
- Monoisotopic mass
- 329.20764703
Names & identifiers
- Preferred name
- 1-[2-(Carboxymethoxy)ethyl]-1-(carboxymethyl)-2-heptyl-4,5-dihydro-1H-imidazol-1-ium
- IUPAC
- 2-[1-[2-(carboxymethoxy)ethyl]-2-heptyl-4,5-dihydroimidazol-1-ium-1-yl]acetic acid
Names & synonyms
DTXSID809683361-[2-(Carboxymethoxy)ethyl]-1-(carboxymethyl)-2-heptyl-4,5-dihydro-1H-imidazol-1-ium744998-42-3
Database identifiers
- CAS
744998-42-3- PubChem CID
- 82173
- DTXSID
DTXSID80968336
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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