Basic information
- CAS
612524-31-9- Standard SMILES
CCc1ccc(Nc2ncnc3c2cnn3Cc2ccc(C)cc2)cc1- InChIKey
HJOMKKWSQGXGQX-UHFFFAOYSA-N- Molecular formula
- C21H21N5
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.17969569
Names & identifiers
- Preferred name
- N-(4-ethylphenyl)-1-(4-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- N-(4-ethylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
N-(4-ethylphenyl)-1-(4-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine612524-31-9N-(4-ETHYLPHENYL)-1-(4-METHYLBENZYL)-1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-AMINEN-(4-ethylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amineSTK101972AKOS001326576UPCMLD0ENAT5755262:001ST50056359AF-399/41980340Z57395208(4-ethylphenyl){1-[(4-methylphenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}amineN-(4-ethylphenyl)-N-[1-(4-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amine
Database identifiers
- CAS
612524-31-9- PubChem CID
- 830185
- EC Number
- 115-364-7
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 428
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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