Basic information
- CAS
10537-03-8- Standard SMILES
O=C([O-])C(=O)O.O=C([O-])C(=O)O.c1ccc2c(CC(C[NH2+]CC[NH+]3CCCCC3)CC3CCCO3)cccc2c1- InChIKey
LCLOTVRQFKKGCI-UHFFFAOYSA-N- Molecular formula
- C29H40N2O9
- Average molar mass
- 560.6 g/mol
- Monoisotopic mass
- 560.27338086
Names & identifiers
- Preferred name
- 2-Furanpropylamine, tetrahydro-beta-(1-naphthylmethyl)-N-(2-piperidinoethyl)-, bioxalate
- IUPAC
- bis(2-hydroxy-2-oxoacetate);[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]-(2-piperidin-1-ium-1-ylethyl)azanium
Names & synonyms
10537-03-8N-(2-Piperidinoethyl)-beta-tetrahydrofurfuryl-1-naphthalenepropylamine bioxalate2-Furanpropylamine, tetrahydro-beta-(1-naphthylmethyl)-N-(2-piperidinoethyl)-, bioxalate1-Naphthalenepropylamine, N-(2-piperidinoethyl)-beta-(tetrahydrofurfuryl)-, bioxalateRefChem:261339
Database identifiers
- CAS
10537-03-8- PubChem CID
- 25347
Properties
Computed structural properties
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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