Basic information
- CAS
32061-14-6- Standard SMILES
COc1ccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1- InChIKey
ZGXWYJRISPAZPS-UHFFFAOYSA-N- Molecular formula
- C19H19N3O2
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.14772686
Overview
See other relationships...
Names & identifiers
- Preferred name
- 4-((N-4-Methoxybenzylidene)amino)antipyrine
- IUPAC
- 4-[(4-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
- English name
- 2,3-Dimethyl-4-(4-methoxybenzylideneamino)-1-phenyl-3-pyrazolin-5-one
- Molecular formula
- C19H19N3O2
- Molecular weight
- 321.37
Names & synonyms
4-[(N-4-Methoxybenzylidene)amino]antipyrine4-((N-4-Methoxybenzylidene)amino)antipyrineRefChem:5098674-Anisilidino-amino-antipyrine4-(Anisylideneamino)antipyrineIS 44-Anisylidino-(aminoantipyrine)32061-14-64-((p-Methoxybenzylidene)amino)antipyrine2,3-Dimethyl-4-((p-methoxybenzylidene)amino)-1-phenyl-3-pyrazolin-5-oneNSC 685533ANTIPYRINE, 4-((p-METHOXYBENZYLIDENE)AMINO)-
Show more names
2,3-Dimethyl-4-(4-methoxybenzylideneamino)-1-phenyl-3-pyrazolin-5-one3H-Pyrazol-3-one, 1,2-dihydro-4-[[(4-methoxyphenyl)methylene]amino]-1,5-dimethyl-2-phenyl-
898835-37-583YTM64MXH3-Pyrazolin-5-one, 2,3-dimethyl-4-((p-methoxybenzylidene)amino)-1-phenyl-3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-(((4-methoxyphenyl)methylene)amino)-2-phenyl-3H-Pyrazol-3-one, 1,2-dihydro-4-(((4-methoxyphenyl)methylene)amino)-1,5-dimethyl-2-phenyl-4-[(4-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one4-[(E)-[(4-methoxyphenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one(E)-4-((4-methoxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Melting point
- 159 °C · 159 °C(Solv: methanol (67-56-1))
- Boiling point
- 453.1 · 453.1±55.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 8.82 · 8.82±0.20(Predicted)
- FDA UNII
- 83 YTM64MXH · 83YTM64MXH
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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