Basic information
- CAS
73940-95-1- Standard SMILES
N#Cc1ccc(C=NCCCCCCN=Cc2ccc(C#N)cc2)cc1- InChIKey
WPRSOPAWUGQYPC-UHFFFAOYSA-N- Molecular formula
- C22H22N4
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.18444672
Names & identifiers
- Preferred name
- p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di-
- IUPAC
- 4-[6-[(4-cyanophenyl)methylideneamino]hexyliminomethyl]benzonitrile
- English name
- 4,4'-[1,6-Hexanediylbis(nitrilomethylidyne)]bisbenzonitrile
- Molecular formula
- C22H22N4
- Molecular weight
- 342.44
Names & synonyms
73940-95-1NSC 91326p-Tolunitrile, alpha,alpha'-(hexamethylenedinitrilo)di-NSC91326alpha,alpha'-(Hexamethylenedinitrilo)di-p-tolunitrileBenzonitrile, 4,4'-(1,6-hexanediylbis(nitrilomethylidyne))bis-4-[6-[(4-cyanophenyl)methylideneamino]hexyliminomethyl]benzonitrileNCIOpen2_009717DTXSID501384854NSC-91326p-Tolunitrile,.alpha.'-(hexamethylenedinitrilo)di-.alpha.,.alpha.'-(Hexamethylenedinitrilo)di-p-tolunitrile
Show more names
4,4'-[1,6-Hexanediylbis(nitrilomethylidyne)]bisbenzonitrile
Benzonitrile,4'-[1,6-hexanediylbis(nitrilomethylidyne)]bis-
Database identifiers
- CAS
73940-95-1- PubChem CID
- 96874
- DTXSID
DTXSID501384854- Nikkaji
- J85.105A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 544.065 · 544.065±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.03 · 1.030±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.378 · 4.378±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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