Basic information
- CAS
50693-74-8- Standard SMILES
Cn1c(=O)c2c(nc(N3CCNCC3)n2C)n(C)c1=O- InChIKey
CWQBJMULHKYRNB-UHFFFAOYSA-N- Molecular formula
- C12H18N6O2
- Average molar mass
- 278.31 g/mol
- Monoisotopic mass
- 278.14912384
Names & identifiers
- Preferred name
- 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
- IUPAC
- 1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione
- English name
- 1,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dione
- Molecular formula
- C12H18N6O2
- Molecular weight
- 278.31
Names & synonyms
50693-74-81,3,7-Trimethyl-8-piperazin-1-yl-3,7-dihydro-purine-2,6-dioneDTXSID20351662RefChem:217604DTXCID50302728CWQBJMULHKYRNB-UHFFFAOYSA-N1,3,7-trimethyl-8-piperazin-1-ylpurine-2,6-dione1,3,7-trimethyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione1,3,7-trimethyl-8-(piperazin-1-yl)-1h-purine-2,6(3h,7h)-dione1,3,7-Trimethyl-8-piperazin-1-yl3,7-dihydro-purine-2,6-dione3,7-Dihydro-1,3,7-trimethyl-8-(1-piperazinyl)-1H-purine-2,6-dione1,3,7-trimethyl-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Show more names
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-piperazinyl)-
1,3,7-trimethyl-8-piperazinyl-1,3,7-trihydropurine-2,6-dioneC12H18N6O2Oprea1_134053Oprea1_443260SCHEMBL531646HMS1631L05ACA69374SBB027982
Database identifiers
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
Aladdin Scientific[email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
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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