Basic information
- CAS
519-98-2- Standard SMILES
CNc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
JILCEWWZTBBOFS-UHFFFAOYSA-N- Molecular formula
- C12H15N3O
- Average molar mass
- 217.27 g/mol
- Monoisotopic mass
- 217.12151211
Names & identifiers
- Preferred name
- Methylaminoantipyrine
- IUPAC
- 1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-one
- English name
- 1,2-dihydro-1,5-dimethyl-4-(methylamino)-2-phenyl-3H-pyrazol-3-one
- Molecular formula
- C12H15N3O
- Molecular weight
- 217.27
Names & synonyms
Noramidopyrine519-98-2Noraminopyrine4-methylaminoantipyrine4-Methylaminophenazone4-(Methylamino)antipyrine1,5-Dimethyl-4-(methylamino)-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneMethylaminoantipyrine4-MonomethylaminoantipyrineMonomethylaminoantipyrine4-MonomethylaminophenazoneN-Methylaminophenazone
Show more names
N-MethyMethylaminophenazoneMetamizole Impurity C4-(Methylamino)-antipyrine
1,5-dimethyl-4-(methylamino)-2-phenylpyrazol-3-oneNER31DE951DTXSID80199865CHEBI:73261RefChem:166542DTXCID40122356208-281-34-Methylamino Antipyrine
Database identifiers
- CAS
519-98-2- PubChem CID
- 10618
- DTXSID
DTXSID80199865- ChEMBL
CHEMBL1164701- ChEBI
CHEBI:73261- UNII
- NER31DE951
- EC Number
- 208-281-3
- Nikkaji
- J25.268I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 50 · 50-53°C
- Boiling point
- 324.5 · 324.5±45.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3 (20 ºC 760 Torr)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.76 · 4.76±0.20(Predicted)
- color
- Pale Yellow to Brown
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 31 DE951 · NER31DE951
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- HazardClass
- IRRITANT
- Toxicity
- 50 oral · LD50 oral in mouse: 7gm/kg
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 oral in mouse: 7gm/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Tissue LocationsKidney；Liver
Cellular LocationsExtracellular
Uses & manufacturing
Uses
Use (kg) in Switzerland (2009): >10000；Use (kg; approx.) in Germany (2009): ?500000；Consumption (g per capita) in Switzerland (2009): 1.3；Consumption (g per capita; approx.) in Germany (2009): 6.1；Excretion rate: 0.3；Calculated removal (%): 75.1
Use ClassificationPharmaceuticals
Applications
UsesA metabolite of Dipyrone, a nonsteroidal anti-inflammatory drug.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers89 total
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Related reactions
1 records
Compound notes
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