Basic information
- CAS
618091-75-1- Standard SMILES
Cc1ccccc1C(=O)c1cnn(-c2ccccc2C)c1N- InChIKey
VYKPITMHNIYJIU-UHFFFAOYSA-N- Molecular formula
- C18H17N3O
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.13716217
Names & identifiers
- Preferred name
- (5-Amino-1-(2-methylphenyl)-1H-pyrazol-4-YL)(2-methylphenyl)methanone
- IUPAC
- [5-amino-1-(2-methylphenyl)pyrazol-4-yl]-(2-methylphenyl)methanone
- English name
- (5-Amino-1-o-tolyl-1H-pyrazol-4-yl)(o-tolyl)methanone
- Molecular formula
- C18H17N3O
- Molecular weight
- 291.35
Names & synonyms
618091-75-1(5-AMINO-1-(2-METHYLPHENYL)-1H-PYRAZOL-4-YL)(2-METHYLPHENYL)METHANONERefChem:403731650-924-9(5-Amino-1-(o-tolyl)-1H-pyrazol-4-yl)(o-tolyl)methanoneAKOS024408755SALOR-INT L252158-1EA(5-Amino-1-o-tolyl-1H-pyrazol-4-yl)(o-tolyl)methanoneMethanone, [5-amino-1-(2-methylphenyl)-1H-pyrazol-4-yl](2-methylphenyl)-
Database identifiers
- CAS
618091-75-1- PubChem CID
- 4101072
- EC Number
- 650-924-9
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Boiling point
- 491.3 · 491.3±40.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 0.16 · 0.16±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
Dr. Jagath Reddy's Heterocyclics[email protected]
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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