Basic information
- CAS
6705-32-4- Standard SMILES
OC(Cc1cnccn1)(c1ccccc1)c1ccccc1- InChIKey
UWJWUMXZPFAEIE-UHFFFAOYSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- 1,1-Diphenyl-2-(2-pyrazinyl)ethanol
- IUPAC
- 1,1-diphenyl-2-pyrazin-2-ylethanol
- English name
- 1,1-diphenyl-2-(2-pyrazinyl)ethanol
- Molecular formula
- C18H16N2O
- Molecular weight
- 276.33
Names & synonyms
1,1-diphenyl-2-(2-pyrazinyl)ethanolOprea1_628690DTXSID501306595I+/-,I+/--Diphenyl-2-pyrazineethanol6705-32-41,1-Diphenyl-2-(pyrazin-2-yl)ethan-1-ol2-Pyrazineethanol, α,α-diphenyl-
Database identifiers
- CAS
6705-32-4- PubChem CID
- 23800307
- DTXSID
DTXSID501306595
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 148 · 148.0-148.8 °C(Solvent: Methanol)
- Boiling point
- 414.303 · 414.303±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.197 · 1.197±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.894 · 12.894±0.29(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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