Basic information
- CAS
31699-72-6- Standard SMILES
O=C([O-])CCCCC(=O)O.[NH3+]CCCCCc1c[nH]c2ccccc12- InChIKey
VOYDZPIBEZGYSQ-UHFFFAOYSA-N- Molecular formula
- C19H28N2O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.20490738
Names & identifiers
- Preferred name
- Indole, 3-(5-aminopentyl)-, adipate
- IUPAC
- 6-hydroxy-6-oxohexanoate;5-(1H-indol-3-yl)pentylazanium
Names & synonyms
omega-3-Indolylamylamine adipinateINDOLE, 3-(5-AMINOPENTYL)-, ADIPATE3-(5-Aminopentyl)indole adipate31699-72-6DTXSID30185591RefChem:349249DTXCID701080825-(1H-indol-3-yl)pentan-1-aminium 5-carboxypentanoate
Database identifiers
- CAS
31699-72-6- PubChem CID
- 35871
- DTXSID
DTXSID30185591
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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