Methanamine, N-(3-(1-methyl-2-nitro-1H-imidazol-5-yl)-2-propenylidene)-, N-oxide, (E)-
Basic information
- CAS
62143-83-3- Standard SMILES
Cn1c(/C=C/C=[N+](/C)[O-])cnc1[N+](=O)[O-]- InChIKey
HCPVYAGIRFNOIH-STMOGGTPSA-N- Molecular formula
- C8H10N4O3
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.07529019
Names & identifiers
- Preferred name
- Methanamine, N-(3-(1-methyl-2-nitro-1H-imidazol-5-yl)-2-propenylidene)-, N-oxide, (E)-
- IUPAC
- (E)-N-methyl-3-(3-methyl-2-nitroimidazol-4-yl)prop-2-en-1-imine oxide
Names & synonyms
Methanamine, N-(3-(1-methyl-2-nitro-1H-imidazol-5-yl)-2-propenylidene)-, N-oxide, (E)-62143-83-3RefChem:1089034BRN 0797161N-Methyl-alpha-((1-methyl-2-nitro-1H-imidazol-5-yl)vinyl)nitrone(E)-N-(3-(1-Methyl-2-nitro-1H-imidazol-5-yl)-2-propenylidene)methanamine N-oxideCHEMBL3247255
Database identifiers
- CAS
62143-83-3- PubChem CID
- 6446537
- ChEMBL
CHEMBL3247255
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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