Basic information
- CAS
5302-36-3- Standard SMILES
CC(C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1- InChIKey
UAORFCGRZIGNCI-LLVKDONJSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609238
Names & identifiers
- Preferred name
- nifenalol, (S)-
- IUPAC
- (1S)-1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol
Names & synonyms
NIFENALOL, (S)-KUB4B338P7RefChem:9277445302-36-3(S)-NifenalolD-NIFENALOL(+)-NIFENALOL(+)-INPEA(1S)-1-(4-nitrophenyl)-2-[(propan-2-yl)amino]ethan-1-olEBC-07962d-N-Isopropyl-p-nitrophenylethanolaminePD132393
Show more names
(+)-N-Isopropyl-p-nitrophenylethanolamineL-(+)-N-Isopropyl-p-nitrophenylethanolamine(+)-N-Isopropyl-1-(p-nitrophenyl)ethanolamineEN300-27115406Benzyl alcohol, alpha-[(isopropylamino)methyl]-p-nitro-, (+)-Benzenemethanol, alpha-[[(1-methylethyl)amino]methyl]-4-nitro-, (alphaS)-Benzenemethanol, alpha-[[(1-methylethyl)amino]methyl]-4-nitro-, (S)-
Database identifiers
- CAS
5302-36-3- PubChem CID
- 202035
- UNII
- KUB4B338P7
- Nikkaji
- J221.283H
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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