N-((Tetrahydrofuran-2-yl)methyl)quinuclidin-3-amine dioxalate

Substructure search Find similar structures

Basic information

CAS: 1609404-06-9
Standard SMILES: C1COC(CNC2CN3CCC2CC3)C1.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIKey: FHSKCTVFVXHKLA-UHFFFAOYSA-N
Molecular formula: C16H26N2O9
Average molar mass: 390.39 g/mol
Monoisotopic mass: 390.16383041

Names & identifiers

Preferred name: N-((Tetrahydrofuran-2-yl)methyl)quinuclidin-3-amine dioxalate
IUPAC: oxalic acid;N-(oxolan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
English name: N-(tetrahydro-2-furanylmethyl)quinuclidin-3-amine diethanedioate
Molecular formula: C14H24N2O5
Molecular weight: 300.36

Names & synonyms

1609404-06-9N-(tetrahydro-2-furanylmethyl)quinuclidin-3-amine diethanedioateN-((Tetrahydrofuran-2-yl)methyl)quinuclidin-3-amine dioxalateN-((Tetrahydrofuran-2-yl)methyl)quinuclidin-3-aminedioxalateN-(Tetrahydro-2-furanylmethyl)quinuclidin-3-amine Oxalateoxalic acid;N-(tetrahydrofuran-2-ylmethyl)quinuclidin-3-amineC16H26N2O9DTXSID101373427BS-40833N-(Tetrahydro-2-furanylmethyl)quinuclidin-3-amine dioxalate, AldrichCPR1-Azabicyclo[2.2.2]octan-3-amine, N-[(tetrahydro-2-furanyl)methyl]-, ethanedioate (1:2)

Database identifiers

CAS: 1609404-06-9
PubChem CID: 75531202
DTXSID: DTXSID101373427

Properties

Computed structural properties

Topological polar surface area: 174 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 11
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 285

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…