1-(1,3-Cyclohexadien-1-yl)ethanone 2,4-dinitrophenyl hydrazone
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Basic information
- CAS
53329-14-9- Standard SMILES
CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=CC=CCC1- InChIKey
PSBDJBXIUARFBP-UHFFFAOYSA-N- Molecular formula
- C14H14N4O4
- Average molar mass
- 302.29 g/mol
- Monoisotopic mass
- 302.10150494
Names & identifiers
- Preferred name
- 1-(1,3-Cyclohexadien-1-yl)ethanone 2,4-dinitrophenyl hydrazone
- IUPAC
- N-(1-cyclohexa-1,3-dien-1-ylethylideneamino)-2,4-dinitroaniline
- English name
- 1-(1,3-Cyclohexadien-1-yl)ethanone 2,4-dinitrophenyl hydrazone
- Molecular formula
- C14H14N4O4
- Molecular weight
- 302.29
Names & synonyms
53329-14-9DB-2585481-(1,3-Cyclohexadien-1-yl)ethanone 2,4-dinitrophenyl hydrazoneEthanone, 1-(1,3-cyclohexadien-1-yl)-, 2-(2,4-dinitrophenyl)hydrazone
Database identifiers
- CAS
53329-14-9- PubChem CID
- 71438198
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 530
Physicochemical properties
- Melting point
- 194 °C · 194 °C
- Boiling point
- 464.4 · 464.4±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 14.62 · 14.62±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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