952-23-8 Purity
Dye content >95%
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The molecular formula of cis-3,5-Dimethyl-1-[5-(methyloxy)-6-nitro-2-pyridinyl]piperazine is C12H18N4O3.
The synonyms for cis-3,5-Dimethyl-1-[5-(methyloxy)-6-nitro-2-pyridinyl]piperazine are 952289-01-9 and SCHEMBL3534776.
The molecular weight of cis-3,5-Dimethyl-1-[5-(methyloxy)-6-nitro-2-pyridinyl]piperazine is 266.30 g/mol.
The IUPAC name of cis-3,5-Dimethyl-1-[5-(methyloxy)-6-nitro-2-pyridinyl]piperazine is (3S,5R)-1-(5-methoxy-6-nitropyridin-2-yl)-3,5-dimethylpiperazine.
The InChI of cis-3,5-Dimethyl-1-[5-(methyloxy)-6-nitro-2-pyridinyl]piperazine is InChI=1S/C12H18N4O3/c1-8-6-15(7-9(2)13-8)11-5-4-10(19-3)12(14-11)16(17)18/h4-5,8-9,13H,6-7H2,1-3H3/t8-,9+.
The InChIKey of cis-3,5-Dimethyl-1-[5-(methyloxy)-6-nitro-2-pyridinyl]piperazine is VMYGFEPTOIEDQV-DTORHVGOSA-N.
The canonical SMILES of cis-3,5-Dimethyl-1-[5-(methyloxy)-6-nitro-2-pyridinyl]piperazine is CC1CN(CC(N1)C2=NC(=C(C=C2)OC)[N+](=O)[O-].
The isomeric SMILES of cis-3,5-Dimethyl-1-[5-(methyloxy)-6-nitro-2-pyridinyl]piperazine is C[C@@H]1CN(C[C@@H](N1)C)C2=NC(=C(C=C2)OC)[N+](=O)[O-].
The XLogP3-AA value of cis-3,5-Dimethyl-1-[5-(methyloxy)-6-nitro-2-pyridinyl]piperazine is 1.7.
Yes, cis-3,5-Dimethyl-1-[5-(methyloxy)-6-nitro-2-pyridinyl]piperazine is considered the canonical form.