2-[(4-Morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile
Basic information
- CAS
326909-19-7- Standard SMILES
N#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1- InChIKey
LVODTDQQOSZBNM-UHFFFAOYSA-N- Molecular formula
- C13H13N5O3S
- Average molar mass
- 319.34 g/mol
- Monoisotopic mass
- 319.07391047
Names & identifiers
- Preferred name
- 2-[(4-Morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile
- IUPAC
- 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile
- English name
- {[4-(4-morpholinylsulfonyl)phenyl]hydrazono}malononitrile
- Molecular formula
- C13H13N5O3S
- Molecular weight
- 319.34
Names & synonyms
326909-19-72-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrileMorpholine, 4-[[4-[(dicyanomethylene)hydrazino]phenyl]sulfonyl]-AN-329/404871862-{[4-(4-morpholinylsulfonyl)phenyl]hydrazono}malononitrileDTXSID20356793STK023289AKOS000489733[4-(Morpholine-4-sulfonyl)phenyl]carbonohydrazonoyl dicyanide{2-[4-(morpholin-4-ylsulfonyl)phenyl]hydrazinylidene}propanedinitrile[4-(morpholin-1-ylsulfonyl)phenylhydrazono]malonitrile{[4-(4-morpholinylsulfonyl)phenyl]hydrazono}malononitrile
Show more names
Propanedinitrile, 2-[2-[4-(4-morpholinylsulfonyl)phenyl]hydrazinylidene]-
Database identifiers
- CAS
326909-19-7- PubChem CID
- 832953
- DTXSID
DTXSID20356793
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 589
Physicochemical properties
- Melting point
- 110 · 110-112 °C(Solv: benzene (71-43-2))
- Boiling point
- 507 · 507.0±60.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 5.98 · 5.98±0.10(Predicted)
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Related reactions
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Compound notes
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