Triangularine structure

Triangularine

[7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(hydroxymethyl)but-2-enoate

Also Known As: Triangularine|Neotriangularine|[7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(hydroxymethyl)but-2-enoate

CAS: 87392-67-4
Molecular Formula C18H25NO5
Molecular Weight 335.17328 g/mol
LogP 1.0
Topological Polar Surface Area 76.1 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 8
Exact Mass 335.17328
Monoisotopic Mass 335.17328
Heavy Atoms 24
Complexity 590.0

Chemical Identifiers

CAS Number 87392-67-4
SMILES CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(=CC)CO
InChIKey GOENJWUGVSLZDQ-UHFFFAOYSA-N

Product Overview

Triangularine (CAS 87392-67-4), with molecular formula C18H25NO5 and molecular weight 335.17328 g/mol. IUPAC: [7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-(hydroxymethyl)but-2-enoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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