2-[(1e)-3-(4-Ethylphenyl)triaz-1-en-1-yl]benzonitrile
Basic information
- CAS
52744-99-7- Standard SMILES
CCc1ccc(NN=Nc2ccccc2C#N)cc1- InChIKey
ABPRIADBDJPCTR-UHFFFAOYSA-N- Molecular formula
- C15H14N4
- Average molar mass
- 250.3 g/mol
- Monoisotopic mass
- 250.12184646
Names & identifiers
- Preferred name
- 2-[(1e)-3-(4-Ethylphenyl)triaz-1-en-1-yl]benzonitrile
- IUPAC
- 2-[(4-ethylanilino)diazenyl]benzonitrile
Names & synonyms
52744-99-72-[(1e)-3-(4-ethylphenyl)triaz-1-en-1-yl]benzonitrileNSC149041DTXSID00302157NSC-149041
Database identifiers
- CAS
52744-99-7- PubChem CID
- 288277
- DTXSID
DTXSID00302157
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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