2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide
Basic information
- CAS
64934-83-4- Standard SMILES
CC1=[N+]([O-])C(C)(C)NC1(C)C- InChIKey
GMIPCEOKROIPSM-UHFFFAOYSA-N- Molecular formula
- C8H16N2O
- Average molar mass
- 156.23 g/mol
- Monoisotopic mass
- 156.12626314
Names & identifiers
- Preferred name
- 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide
- IUPAC
- 2,2,4,5,5-pentamethyl-3-oxido-1H-imidazol-3-ium
- English name
- 2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide
- Molecular formula
- C8H16N2O
- Molecular weight
- 156.23
Names & synonyms
2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide64934-83-4DTXSID40338172RefChem:242852DTXCID20289259GMIPCEOKROIPSM-UHFFFAOYSA-N2,2,4,5,5-pentamethyl-3-oxido-1H-imidazol-3-iumSCHEMBL84858552,2,4,5,5-Pentamethyl-3-oxo-2,5-dihydro-1H-3lambda~5~-imidazole2,2,4,5,5-Pentamethyl-3-imidazoline-3-oxide,98%2,2,4,5,5-PENTAMETHYL-3-IMIDAZOLINE-3-OXIDE FREE RADICAL1H-Imidazole, 2,5-dihydro-2,2,4,5,5-pentamethyl-, 3-oxide
Show more names
2,2,4,5,5-PENTAMETHYL-3-IMIDAZOLINE-3-OXIDE FREE RADICAL 98%
Database identifiers
- CAS
64934-83-4- PubChem CID
- 547136
- DTXSID
DTXSID40338172- Nikkaji
- J586.270A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 40.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 33 · 33-35 °C
- Boiling point
- 280.48 °C · 280.48°C (rough estimate)
- Density
- 1.0306 · 1.0306 (rough estimate)
- refractive index
- 1.4535 · 1.4535 (estimate)
- pka
- 2.36 · 2.36±0.70(Predicted)
- 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
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Related reactions
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Compound notes
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