Basic information
- CAS
307342-03-6- Standard SMILES
Cc1cc(N)n(-c2cc(C)c3ccccc3n2)n1- InChIKey
MRXLQLYHWDBUCH-UHFFFAOYSA-N- Molecular formula
- C14H14N4
- Average molar mass
- 238.29 g/mol
- Monoisotopic mass
- 238.12184646
Names & identifiers
- Preferred name
- F0307-0132
- IUPAC
- 5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-amine
- English name
- CHEMBRDG-BB 5762707
- Molecular formula
- C14H14N4
- Molecular weight
- 238.29
Names & synonyms
307342-03-6F0307-0132DTXSID70352280RefChem:345353DTXCID403033453-methyl-1-(4-methylquinolin-2-yl)-1H-pyrazol-5-amine3-METHYL-1-(4-METHYL-2-QUINOLINYL)-1H-PYRAZOL-5-AMINEMFCD014648735-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-amine1H-Pyrazol-5-amine, 3-methyl-1-(4-methyl-2-quinolinyl)-Oprea1_689263MLS001019024
Show more names
OTAVA-BB 0127500003CHEMBRDG-BB 5762707OTAVA-BB BB01275000033-methyl-1-(4-methyl-2-quinolinyl)-1H-pyrazol-5-amine(SALTDATA: FREE)
CHEMBL1569652HMS2687G20AKOS001062783BS-35924SMR000363387DB-357114ST451762625-methyl-2-(4-methyl-2-quinolyl)pyrazol-3-amine
Database identifiers
- CAS
307342-03-6- PubChem CID
- 722331
- DTXSID
DTXSID70352280- ChEMBL
CHEMBL1569652
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
Solubility12.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 467.3 · 467.3±45.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 2.43 · 2.43±0.61(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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