1-Allyl-2-methyl-5-nitro-1H-imidazole
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Basic information
- CAS
13230-43-8- Standard SMILES
C=CCn1c([N+](=O)[O-])cnc1C- InChIKey
FRPCZQWGVIAXPC-UHFFFAOYSA-N- Molecular formula
- C7H9N3O2
- Average molar mass
- 167.17 g/mol
- Monoisotopic mass
- 167.06947654
Names & identifiers
- Preferred name
- 1-Allyl-2-methyl-5-nitro-1H-imidazole
- IUPAC
- 2-methyl-5-nitro-1-prop-2-enylimidazole
- English name
- 1-allyl-2-methyl-5-nitro-1H-imidazole
- Molecular formula
- C7H9N3O2
- Molecular weight
- 167.17
Names & synonyms
1-Allyl-2-methyl-5-nitro-1H-imidazole13230-43-82-methyl-5-nitro-1-prop-2-enylimidazoleHP2SB4W7TBEINECS 236-202-2UNII-HP2SB4W7TB1H-Imidazole, 2-methyl-5-nitro-1-(2-propen-1-yl)-2-methyl-5-nitro-1-(prop-2-en-1-yl)-1H-imidazoleDTXSID50157472FRPCZQWGVIAXPC-UHFFFAOYSA-N1-Allyl-2-methyl-5-nitroimidazoleNS00024203
Show more names
2-Methyl-5-nitro-1-(2-propenyl)-1H-imidazole
2-Methyl-5-nitro-1-(2-propen-1-yl)-1H-imidazole
Database identifiers
- CAS
13230-43-8- PubChem CID
- 83250
- DTXSID
DTXSID50157472- UNII
- HP2SB4W7TB
- EC Number
- 236-202-2
- Nikkaji
- J213.761E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 326.9 · 326.9±25.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 2.6 · 2.60±0.34(Predicted)
- FDA UNII
- 2 SB4W7TB · HP2SB4W7TB
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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