Basic information
- CAS
2979-51-3- Standard SMILES
O=C(C=Cc1ccccc1)n1ccnc1- InChIKey
XVGXMXZUJNAGFZ-UHFFFAOYSA-N- Molecular formula
- C12H10N2O
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.07931295
Names & identifiers
- Preferred name
- 1-(1H-Imidazol-1-yl)-3-phenyl-2-propen-1-one
- IUPAC
- 1-imidazol-1-yl-3-phenylprop-2-en-1-one
- English name
- N-trans-Cinnamoylimidazole
- Molecular formula
- C12H10N2O
- Molecular weight
- 198.22
Names & synonyms
1-(1H-Imidazol-1-yl)-3-phenyl-2-propen-1-oneRefChem:2226352979-51-3N-cinnamoylimidazoleNCIOpen2_0010911-(1h-imidazol-1-yl)-3-phenylprop-2-en-1-oneSCHEMBL5201692DTXSID501259433PD193941PD193942DB-041185Einecs 221-036-5
Show more names
N-trans-Cinnamoylimidazole1-TRANS-CINNAMOYLIMIDAZOLE1-(1-oxo-3-phenylallyl)-1H-imidazole(1H-Imidazol-1-yl)(2-phenylethenyl)methanone
Database identifiers
- CAS
2979-51-3- PubChem CID
- 70823
- DTXSID
DTXSID501259433- EC Number
- 221-036-5
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 127 · 127-133 °C
- Boiling point
- 391.767 · 391.767±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.092 · 1.092±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 0 · 0-6°C
- pka
- 3.284 · 3.284±0.10(predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…