1H-imidazole, 2,5-dihydro-1,2,2,5,5-pentamethyl-, 3-oxide
Basic information
- CAS
97481-71-5- Standard SMILES
CN1C(C)(C)C=[N+]([O-])C1(C)C- InChIKey
UNPSXBKCCZEIRN-UHFFFAOYSA-N- Molecular formula
- C8H16N2O
- Average molar mass
- 156.23 g/mol
- Monoisotopic mass
- 156.12626314
Names & identifiers
- Preferred name
- 1H-imidazole, 2,5-dihydro-1,2,2,5,5-pentamethyl-, 3-oxide
- IUPAC
- 2,2,3,4,4-pentamethyl-1-oxidoimidazol-1-ium
Names & synonyms
1,2,2,5,5-Pentamethyl-3-imidazoline 3-oxide1H-imidazole, 2,5-dihydro-1,2,2,5,5-pentamethyl-, 3-oxide97481-71-5SCHEMBL7919623DTXSID30348366AKOS0243672781,2,2,5,5-pentamethyl-3-imidazolin-3-olST510011091,2,2,5,5-Pentamethyl-2,5-dihydro-1H-imidazole 3-oxide1,2,2,5,5-Pentamethyl-3-oxo-2,5-dihydro-1H-3lambda~5~-imidazoleInChI=1/C8H16N2O/c1-7(2)6-10(11)8(3,4)9(7)5/h6H,1-5H
Database identifiers
- CAS
97481-71-5- PubChem CID
- 636434
- DTXSID
DTXSID30348366- Nikkaji
- J769.747C
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 32 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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