2,2,5,5-Tetramethyl-4-phenyl-1-imidazolidinol 3-oxide
Basic information
- CAS
18796-01-5- Standard SMILES
CC1(C)C(c2ccccc2)=[N+]([O-])C(C)(C)N1O- InChIKey
MLSJXLQAJPYPSI-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- 2,2,5,5-Tetramethyl-4-phenyl-1-imidazolidinol 3-oxide
- IUPAC
- 3-hydroxy-2,2,4,4-tetramethyl-1-oxido-5-phenylimidazol-1-ium
- English name
- 1-Hydroxy-2,2,5,5-tetramethyl-4-phenyl-3-imidazoline-3-oxide
- Molecular formula
- C13H18N2O2
- Molecular weight
- 234.29
Names & synonyms
18796-01-52,2,5,5-Tetramethyl-4-phenyl-1-imidazolidinol 3-oxideNSC 661469DTXSID30172123RefChem:242915DTXCID9094614NSC6614693-hydroxy-2,2,4,4-tetramethyl-1-oxido-5-phenylimidazol-1-ium1-HYDROXY-2,2,5,5-TETRAMETHYL-4-PHENYL-3-IMIDAZOLINE-3-OXIDESCHEMBL4007737SCHEMBL7517831CHEMBL1968762
Show more names
2,2,5,5-tetramethyl-4-phenyl-delta-2-imidazolin-1-ol 3-oxide1H-Imidazole, 2,5-dihydro-1-hydroxy-2,2,5,5-tetramethyl-4-phenyl-, 3-oxide
NSC-661469NCI60_0214213-hydroxy-2,2,4,4-tetramethyl-1-oxido-5-phenyl-imidazol-1-ium2,2,5,5-Tetramethyl-3-oxo-4-phenyl-2,5-dihydro-1H-3lambda~5~-imidazol-1-ol
Database identifiers
- CAS
18796-01-5- PubChem CID
- 378672
- DTXSID
DTXSID30172123- ChEMBL
CHEMBL1968762- Nikkaji
- J586.549B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Melting point
- 188 · 188-194 °C
- Boiling point
- 376.62 °C · 376.62°C (rough estimate)
- Density
- 1.0844 · 1.0844 (rough estimate)
- refractive index
- 1.645 · 1.6450 (estimate)
- Safety Statements
- 24 · 24/25
- HS Code
- 29332990 · 29332990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29332990
- safety_code
- 24/25
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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