1-(2-Benzylidenehydrazinyl)phthalazine
Basic information
- CAS
67073-46-5- Standard SMILES
C(=N\Nc1nncc2ccccc12)/c1ccccc1- InChIKey
SYXAITLZOCJTFH-MHWRWJLKSA-N- Molecular formula
- C15H12N4
- Average molar mass
- 248.28 g/mol
- Monoisotopic mass
- 248.1061964
Names & identifiers
- Preferred name
- 1-(2-Benzylidenehydrazinyl)phthalazine
- IUPAC
- N-[(E)-benzylideneamino]phthalazin-1-amine
- English name
- 1-(2-benzylidenehydrazinyl)phthalazine
- Molecular formula
- C15H12N4
- Molecular weight
- 248.28
Names & synonyms
1-(2-Benzylidenehydrazinyl)phthalazine67073-46-5DTXSID10430617RefChem:223194DTXCID30381450(E)-1-(2-benzylidenehydrazinyl)phthalazineN-[(E)-benzylideneamino]phthalazin-1-amine1-[(2E)-2-(phenylmethylidene)hydrazin-1-yl]phthalazineMLS000779917CHEMBL3191967SCHEMBL11224067SYXAITLZOCJTFH-MHWRWJLKSA-N
Show more names
Benzaldehyde, 2-(1-phthalazinyl)hydrazone
STK790789Benzaldehyde, (1-phthalasyl)hydrazoneBenzaldehyde, (1-phthalazyl)hydrazoneAKOS005611036Benzaldehyde 1-phthalazinylhydrazone #SMR0004200901-[(2E)-2-benzylidenehydrazinyl]phthalazine1-[(2E)-2-Benzylidenehydrazin-1-yl]phthalazine
Database identifiers
- CAS
67073-46-5- PubChem CID
- 9603435
- DTXSID
DTXSID10430617- ChEMBL
CHEMBL3191967- Nikkaji
- J994.174F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Experimental & physicochemical properties
Solubility6.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 243 · 243-245 °C
- Boiling point
- 502.5 · 502.5±32.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.14 · 9.14±0.70(Predicted)
Chemistry & industry
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