910247-97-1 Purity
≥99%
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Specification
The molecular formula of the compound is C12H27N2O4P.
The synonyms of the compound are 922521-04-8, 1-HEXYL-3-METHYLIMIDAZOLIUM DIHYDROGEN PHOSPHATE, DTXSID30854896, dihydrogen phosphate;1-methyl-3-octyl-1,2-dihydroimidazol-1-ium, 1-Methyl-3-octyl-2,3-dihydro-1H-imidazol-1-ium dihydrogen phosphate.
The molecular weight of the compound is 294.33 g/mol.
The IUPAC name of the compound is dihydrogen phosphate;1-methyl-3-octyl-1,2-dihydroimidazol-1-ium.
The InChI of the compound is InChI=1S/C12H24N2.H3O4P/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;1-5(2,3)4/h10-11H,3-9,12H2,1-2H3;(H3,1,2,3,4).
The InChIKey of the compound is LJNSGLVUYMKVKE-UHFFFAOYSA-N.
The canonical SMILES of the compound is CCCCCCCCN1C[NH+](C=C1)C.OP(=O)(O)[O-].
The CAS number of the compound is 922521-04-8.
The hydrogen bond donor count of the compound is 3.
Yes, the compound is canonicalized.