Basic information
- CAS
612524-18-2- Standard SMILES
Cc1ccc(Cn2ncc3c(Nc4ccc(F)cc4)ncnc32)cc1- InChIKey
DWIDMHOSAFRJPU-UHFFFAOYSA-N- Molecular formula
- C19H16FN5
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.13897369
Names & identifiers
- Preferred name
- N-(4-fluorophenyl)-1-(4-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
- English name
- N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
- Molecular formula
- C19H16FN5
- Molecular weight
- 333.36
Names & synonyms
N-(4-fluorophenyl)-1-(4-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineSTL338435AKOS003063143N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine612524-18-2N-(4-FLUOROPHENYL)-1-(4-METHYLBENZYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-AMINE1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-
Database identifiers
- CAS
612524-18-2- PubChem CID
- 930452
- EC Number
- 124-657-9
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 420
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]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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