1-But-3-en-2-ylimidazole
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Basic information
- CAS
62366-42-1- Standard SMILES
C=CC(C)n1ccnc1- InChIKey
PXCBDUXMKGCEOG-UHFFFAOYSA-N- Molecular formula
- C7H10N2
- Average molar mass
- 122.17 g/mol
- Monoisotopic mass
- 122.08439833
Names & identifiers
- Preferred name
- 1-But-3-en-2-ylimidazole
- IUPAC
- 1-but-3-en-2-ylimidazole
- English name
- 1H-Imidazole,1-(1-methyl-2-propenyl)-(9CI)
- Molecular formula
- C7H10N2
- Molecular weight
- 122.17
Names & synonyms
62366-42-11-but-3-en-2-ylimidazoleNSC310285SCHEMBL4878486SCHEMBL9170173DTXSID403170631-(but-3-en-2-yl)-1H-imidazoleAKOS010778797NSC-3102851-(1-methyl-allyl)-1H-imidazole1H-Imidazole, 1-(1-methyl-2-propen-1-yl)-1H-Imidazole,1-(1-methyl-2-propenyl)-(9CI)
Database identifiers
- CAS
62366-42-1- PubChem CID
- 329155
- DTXSID
DTXSID40317063
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 219.1 · 219.1±19.0 °C(Predicted)
- Density
- 0.93 · 0.93±0.1 g/cm3(Predicted)
- pka
- 6.87 · 6.87±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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