Benzonitrile, 4-[[(4-propylphenyl)methylene]amino]-
Basic information
- CAS
38690-79-8- Standard SMILES
CCCc1ccc(C=Nc2ccc(C#N)cc2)cc1- InChIKey
WNPUCDQWHSMXIN-UHFFFAOYSA-N- Molecular formula
- C17H16N2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.13134852
Names & identifiers
- Preferred name
- Benzonitrile, 4-[[(4-propylphenyl)methylene]amino]-
- IUPAC
- 4-[(4-propylphenyl)methylideneamino]benzonitrile
- English name
- 4-[(4-propylbenzylidene)amino]benzonitrile
- Molecular formula
- C17H16N2
- Molecular weight
- 248.32
Names & synonyms
EINECS 254-087-7Benzonitrile, 4-[[(4-propylphenyl)methylene]amino]-N-(p-Propylbenzylidene)-p-aminobenzonitrileDTXSID7068132Benzonitrile, 4-(((4-propylphenyl)methylene)amino)-RefChem:566219DTXCID703954538690-79-84-((4-Propylbenzylidene)amino)benzonitrileZN7F4AG5QXSCHEMBL8761762SCHEMBL11508085
Show more names
N-(p-Propylbenzylidene)-p-cyanoaniline4-[(4-propylbenzylidene)amino]benzonitrile
4-{[(4-PROPYLPHENYL)METHYLIDENE]AMINO}BENZONITRILEp-[(p-n-propylbenzyliden)amino]benzonitrileNS00030443p-[(p-n-propylbenzyliden)amino]-benzonitrile4-[[(4-Propylphenyl)methylene]amino]benzonitrile
Database identifiers
- CAS
38690-79-8- PubChem CID
- 170100
- DTXSID
DTXSID7068132- UNII
- ZN7F4AG5QX
- EC Number
- 254-087-7
- Nikkaji
- J180.884B
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 36.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 75.5 °C · 75.5 °C
- Boiling point
- 416.131 · 416.131±38.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.994 · 0.994±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.576 · 1.576±0.10(predicted)
- EPA Substance Registry System
- 4 · Benzonitrile, 4-[[(4-propylphenyl)methylene]amino]- (38690-79-8)
- 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 InformationBenzonitrile, 4-[[(4-propylphenyl)methylene]amino]-: INACTIVE
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Related reactions
2 records
Compound notes
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