Basic information
- CAS
4857-51-6- Standard SMILES
Clc1ccc(Cn2ncc3c(NC4CCCCC4)ncnc32)cc1- InChIKey
LZALKPBCUKWXMY-UHFFFAOYSA-N- Molecular formula
- C18H20ClN5
- Average molar mass
- 341.8 g/mol
- Monoisotopic mass
- 341.1407234
Names & identifiers
- Preferred name
- 1-[(4-chlorophenyl)methyl]-N-cyclohexylpyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-[(4-chlorophenyl)methyl]-N-cyclohexylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
1-[(4-chlorophenyl)methyl]-N-cyclohexylpyrazolo[3,4-d]pyrimidin-4-amine1-(4-chlorobenzyl)-N-cyclohexyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine4857-51-6612523-81-61-(4-CHLOROBENZYL)-N-CYCLOHEXYL-1H-PYRAZOLO(3,4-D)PYRIMIDIN-4-AMINEIFLab1_005903DTXSID40358991HMS1428M07STK103938AKOS001339025IDI1_011306ST50056318
Show more names
Z57478479{1-[(4-chlorophenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-yl}cyclohexylamine1-[(4-Chlorophenyl)methyl]-N-cyclohexyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- CAS
4857-51-6、612523-81-6- PubChem CID
- 930205
- DTXSID
DTXSID40358991- EC Number
- 124-663-1
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 395
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…