1-Naphthaleneethylamine, beta-(2-propenyl)-N-(2-pyrrolidinoethyl)-, bioxalate
Basic information
- CAS
10337-42-5- Standard SMILES
C=CCC(C[NH2+]CCC1CCC[NH2+]1)c1cccc2ccccc12.O=C([O-])C(=O)O.O=C([O-])C(=O)O- InChIKey
NIYUOWSCWVSKTE-UHFFFAOYSA-N- Molecular formula
- C25H32N2O8
- Average molar mass
- 488.5 g/mol
- Monoisotopic mass
- 488.21586598
Names & identifiers
- Preferred name
- 1-Naphthaleneethylamine, beta-(2-propenyl)-N-(2-pyrrolidinoethyl)-, bioxalate
- IUPAC
- bis(2-hydroxy-2-oxoacetate);2-naphthalen-1-ylpent-4-enyl(2-pyrrolidin-1-ium-2-ylethyl)azanium
Names & synonyms
4-Pentenylamine, 2-(1-naphthyl)-N-(2-pyrrolidinoethyl)-, bioxalate10337-42-5beta-(2-Propenyl)-N-(2-pyrrolidinoethyl)-1-naphthaleneethylamine bioxalate1-NAPHTHALENEETHYLAMINE, beta-(2-PROPENYL)-N-(2-PYRROLIDINOETHYL)-, BIOXALATERefChem:232280
Database identifiers
- CAS
10337-42-5- PubChem CID
- 25173
Properties
Computed structural properties
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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