Basic information
- CAS
41319-88-4- Standard SMILES
CCCCCCCCCCCCCCCCCCOc1ccc(NN=C(C#N)C#N)cc1Cl- InChIKey
ULRBLBJOUQEKLL-UHFFFAOYSA-N- Molecular formula
- C27H41ClN4O
- Average molar mass
- 473.1 g/mol
- Monoisotopic mass
- 472.2968896
Names & identifiers
- Preferred name
- Propanedinitrile, 2-[2-[3-chloro-4-(octadecyloxy)phenyl]hydrazinylidene]-
- IUPAC
- 2-[(3-chloro-4-octadecoxyphenyl)hydrazinylidene]propanedinitrile
- English name
- [[3-chloro-4-(octadecyloxy)phenyl]hydrazono]malononitrile
- Molecular formula
- C27H41ClN4O
- Molecular weight
- 473.09
Names & synonyms
EINECS 255-312-1Propanedinitrile, [[3-chloro-4-(octadecyloxy)phenyl]hydrazono]-Propanedinitrile, ((3-chloro-4-(octadecyloxy)phenyl)hydrazono)-Propanedinitrile, 2-(2-(3-chloro-4-(octadecyloxy)phenyl)hydrazinylidene)-Propanedinitrile, 2-[2-[3-chloro-4-(octadecyloxy)phenyl]hydrazinylidene]-RefChem:86891141319-88-4[[3-Chloro-4-(octadecyloxy)phenyl]hydrazono]malononitrile((3-Chloro-4-(octadecyloxy)phenyl)hydrazono)malononitrileDTXSID9068299ULRBLBJOUQEKLL-UHFFFAOYSA-NNS00030964
Show more names
2-[2-[3-Chloro-4-(octadecyloxy)phenyl]hydrazono]propanedinitrile
[3-Chloro-4-(octadecyloxy)phenyl]carbonohydrazonoyl dicyanide
Database identifiers
- CAS
41319-88-4
Properties
Computed structural properties
- XLogP
- 12.2
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 20
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 588
Physicochemical properties
- Boiling point
- 563.9 · 563.9±60.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 5.85 · 5.85±0.10(Predicted)
- EPA Substance Registry System
- 3 · Propanedinitrile, [[3-chloro-4-(octadecyloxy)phenyl]hydrazono]- (41319-88-4)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanedinitrile, 2-[2-[3-chloro-4-(octadecyloxy)phenyl]hydrazinylidene]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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