1-Naphthaleneethylamine, N-(2-piperidinoethyl)-beta-(2-propenyl)-, bioxalate

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Basic information

CAS: 10337-43-6
Standard SMILES: C=CCC(C[NH2+]CC[NH+]1CCCCC1)c1cccc2ccccc12.O=C([O-])C(=O)O.O=C([O-])C(=O)O
InChIKey: LSXWVCIPDXUVCM-UHFFFAOYSA-N
Molecular formula: C26H34N2O8
Average molar mass: 502.6 g/mol
Monoisotopic mass: 502.23151605

Names & identifiers

Preferred name: 1-Naphthaleneethylamine, N-(2-piperidinoethyl)-beta-(2-propenyl)-, bioxalate
IUPAC: bis(2-hydroxy-2-oxoacetate);2-naphthalen-1-ylpent-4-enyl(2-piperidin-1-ium-1-ylethyl)azanium

Names & synonyms

4-Pentenylamine, 2-(1-naphthyl)-N-(2-piperidinoethyl)-, bioxalate10337-43-6N-(2-Piperidinoethyl)-beta-(2-propenyl)-1-naphthaleneethylamine bioxalate1-NAPHTHALENEETHYLAMINE, N-(2-PIPERIDINOETHYL)-beta-(2-PROPENYL)-, BIOXALATERefChem:232282

Database identifiers

CAS: 10337-43-6
PubChem CID: 25175

Properties

Computed structural properties

Topological polar surface area: 176 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 439

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Compound notes

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