8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Basic information
- CAS
577766-25-7- Standard SMILES
COCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C- InChIKey
AUEUQXGWWWMPRH-UHFFFAOYSA-N- Molecular formula
- C22H30N6O3
- Average molar mass
- 426.5 g/mol
- Monoisotopic mass
- 426.23793884
Names & identifiers
- Preferred name
- 8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione
Names & synonyms
8-[(4-benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione577766-25-78-((4-benzylpiperazin-1-yl)methyl)-7-(2-methoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dioneSTL340347AKOS0007219048-[(4-benzylpiperazin-1-yl)methyl]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dioneUPCMLD0ENAT5837792:001ST50283508F0634-0564Z2390867807-(2-methoxyethyl)-1,3-dimethyl-8-{[4-benzylpiperazinyl]methyl}-1,3,7-trihydro purine-2,6-dione8-[(4-BENZYL-1-PIPERAZINYL)METHYL]-7-(2-METHOXYETHYL)-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Database identifiers
- CAS
577766-25-7- PubChem CID
- 2987754
- EC Number
- 134-148-3
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 635
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, 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%)
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Compound notes
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