Basic information
- CAS
83-17-0- Standard SMILES
Cc1c(N=Cc2ccccc2)c(=O)n(-c2ccccc2)n1C- InChIKey
DOFPFUSLGOLLCL-UHFFFAOYSA-N- Molecular formula
- C18H17N3O
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.13716217
Overview
See other relationships...
Names & identifiers
- Preferred name
- 4-Benzylideneaminoantipyrine
- IUPAC
- 4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one
- English name
- 4-BENZYLIDENEAMINOANTIPYRINE
- Molecular formula
- C18H17N3O
- Molecular weight
- 291.35
Names & synonyms
83-17-04-Benzylideneaminoantipyrine1351526-79-84-(Benzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one4-(benzylideneamino)-1,5-dimethyl-2-phenylpyrazol-3-one4-(Benzylideneamino)antipyrineNSC598081,5-dimethyl-2-phenyl-4-[(E)-(phenylmethylidene)amino]-2,3-dihydro-1H-pyrazol-3-oneAntipyrine, 4-(benzylideneamino)-(E)-4-(benzylideneamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one(E)-4-(benzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one1,5-dimethyl-2-phenyl-4-{[(e)-phenylmethylene]amino}-1,2-dihydro-3h-pyrazol-3-one
Show more names
3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-4-[(phenylmethylene)amino]-
1,5-dimethyl-2-phenyl-4-{[(E)-phenylmethylidene]amino}-1,2-dihydro-3H-pyrazol-3-one3H-pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-4-[[(1E)-phenylmethylene]amino]-4-[benzylideneamino]-1,5-dimethyl-2-phenyl-1h-pyrazol-3(2h)-one(e)-4-[benzylideneamino]-1,5-dimethyl-2-phenyl-1h-pyrazol-3(2h)-oneChemDiv1_019083Oprea1_684397SCHEMBL5144278CHEMBL2088268
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Melting point
- 174 °C · 174 °C
- Boiling point
- 421.1 · 421.1±55.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 8.74 · 8.74±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H335-H319-H302-H315-H312
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H335-H319-H302-H315-H312
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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