4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile
Basic information
- CAS
52364-70-2- Standard SMILES
CCC(C)COc1ccc(-c2ccc(C#N)cc2)cc1- InChIKey
WBUQBWQWNDKJJR-UHFFFAOYSA-N- Molecular formula
- C18H19NO
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.14666423
Names & identifiers
- Preferred name
- 4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile
- IUPAC
- 4-[4-(2-methylbutoxy)phenyl]benzonitrile
- English name
- 4'-(2-methylbutoxy)[1,1'-biphenyl]-4-carbonitrile
- Molecular formula
- C18H19NO
- Molecular weight
- 265.35
Names & synonyms
52364-70-24'-(2-methylbutoxy)[1,1'-biphenyl]-4-carbonitrileEINECS 257-874-34'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrileDTXSID50966743RefChem:95900DTXCID701034091257-874-34-[4-(2-methylbutoxy)phenyl]benzonitrile4'-(2-Methylbutoxy)-[1,1'-biphenyl]-4-carbonitrileSCHEMBL91873WBUQBWQWNDKJJR-UHFFFAOYSA-N
Show more names
4-cyano-4'-(2-methyl buthyl)biphenyl4'-(2-Methylbutoxy)biphenyl-4-carbonitrile[1,1'-Biphenyl]-4-carbonitrile, 4'-(2-methylbutoxy)-
EINECS 261-360-44-Cyano-4'-(2-methylbutoxy)biphenyl4-Cyano-4'-(2-methylbut-1-oxy)biphenylDB-072505DB-367686NS00052846(+)-4'-(2-Methylbutoxy)(1,1'-biphenyl)-4-carbonitrile
Database identifiers
- CAS
52364-70-2、58600-86-5- PubChem CID
- 94130
- DTXSID
DTXSID50966743- EC Number
- 257-874-3
- Nikkaji
- J21.998C、J296.985H
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 53.5 °C · 53.5 °C
- Boiling point
- 412.3 · 412.3±38.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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