Basic information
- CAS
5054-57-9- Standard SMILES
CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1- InChIKey
UAORFCGRZIGNCI-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
Overview
Nifenalol is a C-nitro compound.
Names & identifiers
- Preferred name
- (RS)-Nifenalol
- IUPAC
- 1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol
- English name
- nifenalol
- Molecular formula
- C11H16N2O3
- Molecular weight
- 0
Names & synonyms
Nifenalol7413-36-7racemic nifenalolNifenalolumDL-INPEADTXSID9048693D1DE63830PDTXCID5028619nifenalolo(RS)-Nifenalol1-(4-nitrophenyl)-2-isopropylaminoethanolRefChem:906440
Show more names
1-(4-Nitrophenyl)-2-(isopropylamino)ethanolα-[[(1-Methylethyl)amino]methyl]-4-nitrobenzyl alcohol
231-023-6isophenethanolNifenalol [INN]1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol1-(4-nitrophenyl)-2-[(propan-2-yl)amino]ethan-1-ol2-(isopropylamino)-1-(4-nitrophenyl)ethanolalpha-((Isopropylamino)methyl)-p-nitrobenzyl alcoholNCGC00160443-01
Database identifiers
- CAS
5054-57-9- ChEMBL
CHEMBL127349、CHEMBL4753415- ChEBI
CHEBI:134921- UNII
- D1DE63830P
- EC Number
- 231-023-6
- Nikkaji
- J41.849H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
Human DrugsPharmaceuticals
Physicochemical properties
- Boiling point
- 365.66 °C · 365.66°C (rough estimate)
- Density
- 1.1672 · 1.1672 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
Chemistry & industry
Uses & manufacturing
Use ClassificationPharmaceuticals
Additional notes
DefinitionChEBI: Nifenalol is a C-nitro compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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