33528-63-1 Purity
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Specification
The molecular formula is C7H11N3O3.
The molecular weight is 185.18 g/mol.
The IUPAC Name is 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol.
The InChI is InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3.
The InChIKey is KPQZUUQMTUIKBP-UHFFFAOYSA-N.
The Canonical SMILES is CC1=NC=C(N1CC(C)O)[N+](=O)[O-].
The CAS number is 3366-95-8.
The EC Number is 222-134-0.
The UNII is R3459K699K.
The ChEMBL ID is CHEMBL498847.
Reference: [1] Patent: CN103772289, 2016, B, . Location in patent: Paragraph 0036-0042