Catalog | OFC287966556-1 |
CAS | 287966-55-6 |
Category | Nucleophilic Fluorination Agents |
Synonyms | Tetrahydro-1,3-dimethyl-2(1H)-pyrimidinone Hydrofluoride (HF 65%); 1,3-Dimethyltetrahydropyrimidin-2(1H)-one Hydrofluoride (HF 65%); N,N'-Dimethylpropyleneurea Hydrofluoride (HF 65%) |
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IUPAC Name | 1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride |
InChI | InChI=1S/C6H12N2O.FH/c1-7-4-3-5-8(2)6(7)9;/h3-5H2,1-2H3;1H |
InChI Key | VJFSGFXCWXVXOD-UHFFFAOYSA-N |
Isomeric SMILES | CN1CCCN(C1=O)C.F |
Reaxys Registry Number | 28838644 |
Molecular Formula | C6H12N2O·xHF |
Appearance | Light yellow to brown clear liquid |
Storage | 0-10 °C; Store under inert gas |
Stability | Moisture sensitive; Heat sensitive |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 0 |
Exact Mass | 148.10119120 g/mol |
Monoisotopic Mass | 148.10119120 g/mol |
Topological Polar Surface Area | 23.6Ų |
Heavy Atom Count | 10 |
Formal Charge | 0 |
Complexity | 112 |
HS Number | 2933.59.9500 |
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