Structure via PubChem · Public domain (PubChem)
Sinapine
Sign in to saveAlso known as 2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-N,N,N-trimethylethanaminium, sinapoylcholine, sinapic acid choline ester
chemische verbinding
Chemical data
- Formula
- C16H24NO5+
- Molecular weight
- 310.36 g/mol
- IUPAC name
- 2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium
- SMILES
- C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC
- InChIKey
- HUJXHFRXWWGYQH-UHFFFAOYSA-O
- XLogP
- 1.8
- Polar surface area
- 65 Ų
- H-bond donors
- 1
- H-bond acceptors
- 5
- Formal charge
- 1
via PubChem
Wikidata facts
- Mass
- 310.165448
Show 5 more facts
- isomeric SMILES
- C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC
- canonical SMILES
- C[N+](C)(C)CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC
- found in taxon
- Brassica nigra
- chemical formula
- C₁₆H₂₄NO₅⁺
- Commons category
- Sinapine
Sources (2)
via Wikidata · CC0