Basic information
- CAS
79156-86-8- Standard SMILES
NCCCC1(C(N)=O)c2ccccc2-c2ccccc21- InChIKey
NZMHPKUOEWBREH-UHFFFAOYSA-N- Molecular formula
- C17H18N2O
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.1419132
Overview
indecainide metabolite; structure given in first source
Names & identifiers
- Preferred name
- Deisopropylindecainide
- IUPAC
- 9-(3-aminopropyl)fluorene-9-carboxamide
- English name
- deisopropylindecainide
- Molecular formula
- C17H18N2O
- Molecular weight
- 266.34
Names & synonyms
DeisopropylindecainideDesisopropyl indecainide79156-86-89(3-Aminopropyl)-9H-fluorene-9-carboxamideDTXSID30229560RefChem:131589DTXCID801520519H-Fluorene-9-carboxamide, 9-(3-aminopropyl)-9-(3-Aminopropyl)-9-aminocarbonylfluoreneSCHEMBL10778218NZMHPKUOEWBREH-UHFFFAOYSA-N9-carbamoyl-9-(3-aminopropyl)fluorene
Show more names
9-(3-aminopropyl)-9H-fluorene-9-carboxamide
Database identifiers
- CAS
79156-86-8- PubChem CID
- 127612
- DTXSID
DTXSID30229560
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Boiling point
- 508.2 · 508.2±39.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- pka
- 15.66 · 15.66±0.20(Predicted)
Related reactions
11 records
Compound notes
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