Basic information
- CAS
29941-70-6- Standard SMILES
Cn1c([N+](=O)[O-])cnc1C=[N+](C)[O-]- InChIKey
JPGSNNPGOCFQJD-UHFFFAOYSA-N- Molecular formula
- C6H8N4O3
- Average molar mass
- 184.15 g/mol
- Monoisotopic mass
- 184.05964012
Names & identifiers
- Preferred name
- N-methyl-1-(1-methyl-5-nitroimidazol-2-yl)methanimine oxide
- IUPAC
- N-methyl-1-(1-methyl-5-nitroimidazol-2-yl)methanimine oxide
Names & synonyms
29941-70-6N-methyl-1-(1-methyl-5-nitroimidazol-2-yl)methanimine oxideSCHEMBL11615284DTXSID80307029JPGSNNPGOCFQJD-UHFFFAOYSA-Nalpha-(1-Methyl-5-nitroimidazol-2-yl)-N-methylnitroneN-Methyl(1-methyl-5-nitro-1H-imidazol-2-yl)methanimine N-oxide
Database identifiers
- CAS
29941-70-6- PubChem CID
- 302288
- DTXSID
DTXSID80307029
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Related reactions
4 records
Compound notes
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