Nitrone, N,alpha-dimethyl-alpha-((1-methyl-2-nitro-1H-imidazol-5-yl)vinyl)-
Basic information
- CAS
62143-88-8- Standard SMILES
CC(/C=C/c1cnc([N+](=O)[O-])n1C)=[N+](\C)[O-]- InChIKey
VGWCHPMDTJPNML-UHFFFAOYSA-N- Molecular formula
- C9H12N4O3
- Average molar mass
- 224.22 g/mol
- Monoisotopic mass
- 224.09094026
Names & identifiers
- Preferred name
- Nitrone, N,alpha-dimethyl-alpha-((1-methyl-2-nitro-1H-imidazol-5-yl)vinyl)-
- IUPAC
- (E)-N-methyl-4-(3-methyl-2-nitroimidazol-4-yl)but-3-en-2-imine oxide
- English name
- N-Methyl-N-[3-(1-methyl-2-nitro-1H-imidazol-5-yl)-1-methyl-2-propenylidene]amine oxide
- Molecular formula
- C9H12N4O3
- Molecular weight
- 224.22
Names & synonyms
62143-88-8NITRONE, N,alpha-DIMETHYL-alpha-((1-METHYL-2-NITRO-1H-IMIDAZOL-5-YL)VINYL)-RefChem:1092468BRN 0663350N,alpha-Dimethyl-alpha((1-methyl-2-nitro-1H-imidazol-5-yl)vinyl)nitroneCHEMBL3247260N-Methyl-N-[3-(1-methyl-2-nitro-1H-imidazol-5-yl)-1-methyl-2-propenylidene]amine oxideMethanamine, N-[1-methyl-3-(1-methyl-2-nitro-1H-imidazol-5-yl)-2-propenylidene]-, N-oxide (9CI)
Database identifiers
- CAS
62143-88-8- PubChem CID
- 6434682
- ChEMBL
CHEMBL3247260- Nikkaji
- J64.685G
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Melting point
- 193 · 193-194 °C(Solv: ethanol (64-17-5))
- Boiling point
- 476.2 · 476.2±55.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 1.48 · 1.48±0.53(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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