Basic information
- CAS
18213-73-5- Standard SMILES
COc1nc(OC)nc(-c2ccccc2)n1- InChIKey
MBOHQAALDUADLU-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- 2,4-Dimethoxy-6-phenyl-1,3,5-triazine
- IUPAC
- 2,4-dimethoxy-6-phenyl-1,3,5-triazine
- English name
- 2,4-Dimethoxy-6-phenyl-1,3,5-triazine
- Molecular formula
- C11H11N3O2
- Molecular weight
- 217.22
Names & synonyms
2,4-dimethoxy-6-phenyl-1,3,5-triazine18213-73-5DTXSID00274865RefChem:246519DTXCID902263182-phenyl-4,6-dimethoxy-1,3,5-triazineSCHEMBL1130501SCHEMBL11403344MBOHQAALDUADLU-UHFFFAOYSA-NDB-0817771,3,5-Triazine, 2,4-diMethoxy-6-phenyl-
Database identifiers
- CAS
18213-73-5- PubChem CID
- 28964
- DTXSID
DTXSID00274865- Nikkaji
- J1.557.283C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 380.3 · 380.3±25.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- pka
- 1.36 · 1.36±0.10(Predicted)
Chemistry & industry
Suppliers3 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
Related reactions
2 records
Compound notes
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