Basic information
- CAS
3722-12-1- Standard SMILES
N#CC(C#N)=NNc1ccc([N+](=O)[O-])cc1- InChIKey
WPLQCARIFVAYOT-UHFFFAOYSA-N- Molecular formula
- C9H5N5O2
- Average molar mass
- 215.17 g/mol
- Monoisotopic mass
- 215.04432442
Names & identifiers
- Preferred name
- 2-(2-(4-Nitrophenyl)hydrazinylidene)propanedinitrile
- IUPAC
- 2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile
- English name
- 2-[(4-nitrophenyl)hydrazinylidene]propanedinitrile
- Molecular formula
- C9H5N5O2
- Molecular weight
- 215.17
Names & synonyms
3722-12-1MALONONITRILE, (p-NITROPHENYL)HYDRAZONEDTXSID80190711RefChem:1060812DTXCID201132022-(2-(4-Nitrophenyl)hydrazinylidene)propanedinitrile2-[(4-nitrophenyl)hydrazinylidene]propanedinitrileMLS000779896SMR000420077(4-nitrophenyl)carbonohydrazonoyl dicyanide1-CYANO-N-(4-NITROPHENYL)METHANECARBOHYDRAZONOYL CYANIDE2-[(4-Nitro-phenyl)-hydrazono]-malononitrile
Show more names
Propanedinitrile, 2-[2-(4-nitrophenyl)hydrazinylidene]-Mesoxalonitrile, (P-nitrophenyl)hydrazonep-NitrophenylhydrazonomalononitrileBRN 1842828Propanedinitrile, ((4-nitrophenyl)hydrazono)-cid_19495CHEMBL1544901BDBM58179
Database identifiers
- CAS
3722-12-1- PubChem CID
- 19495
- DTXSID
DTXSID80190711- ChEMBL
CHEMBL1544901- Nikkaji
- J41.629K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 367
Experimental & physicochemical properties
LogP2.34
Solubility23.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 140 · 140-141 °C(Solv: N,N-dimethylformamide (68-12-2); water (7732-18-5))
- Boiling point
- 382.5 · 382.5±44.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 5.45 · 5.45±0.10(Predicted)
Chemistry & industry
Suppliers1 total
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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