3-(2-(4,5-Dihydro-2-undecyl-1H-imidazol-1-yl)ethoxy)propionic acid

HCID 77941

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Basic information

CAS: 4258-46-2
Standard SMILES: CCCCCCCCCCCC1=NCCN1CCOCCC(=O)O
InChIKey: OURQEILTTSQHJV-UHFFFAOYSA-N
Molecular formula: C19H36N2O3
Average molar mass: 340.5 g/mol
Monoisotopic mass: 340.27259301

Names & identifiers

Preferred name: 3-(2-(4,5-Dihydro-2-undecyl-1H-imidazol-1-yl)ethoxy)propionic acid
IUPAC: 3-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
English name: 3-[2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethoxy]propionic acid
Molecular formula: C19H36N2O3
Molecular weight: 340.5

Names & synonyms

4258-46-23-(2-(4,5-Dihydro-2-undecyl-1H-imidazol-1-yl)ethoxy)propionic acid3-[2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethoxy]propionic acidEINECS 224-233-43-[2-(2-undecyl-4,5-dihydro-1h-imidazol-1-yl)ethoxy]propanoic acidGH3BGC9UKQDTXSID30195357OURQEILTTSQHJV-UHFFFAOYSA-N3-[2-(4,5-DIHYDRO-2-UNDECYL-1H-IMIDAZOL-1-YL)ETHOXY]PROPANOIC ACIDNS00047148Propanoic acid, 3-[2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethoxy]-

Database identifiers

CAS: 4258-46-2
PubChem CID: 77941
DTXSID: DTXSID30195357
UNII: GH3BGC9UKQ
EC Number: 224-233-4
Nikkaji: J205.669K

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 62.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 16
Heavy atoms: 24
Formal charge: 0
Complexity: 359

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