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84321-40-4

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84321-40-4 Structure

84321-40-4 Structure
IdentificationBack Directory
[Name]

1H-Imidazole-5-carboxylic acid, 1-methyl-4-[methyl[[(5-oxohexyl)amino]carbonyl]amino]-
[CAS]

84321-40-4
[Synonyms]

Pentoxifylline Impurity 15
Pentoxifylline Impurity 13
1H-Imidazole-5-carboxylic acid, 1-methyl-4-[methyl[[(5-oxohexyl)amino]carbonyl]amino]-
[Molecular Formula]

C13H20N4O4
[MOL File]

84321-40-4.mol
[Molecular Weight]

296.32
Chemical PropertiesBack Directory
[Boiling point ]

642.3±55.0 °C(Predicted)
[density ]

1.28±0.1 g/cm3(Predicted)
[pka]

-0.49±0.25(Predicted)
[InChI]

InChI=1S/C13H20N4O4/c1-9(18)6-4-5-7-14-13(21)17(3)11-10(12(19)20)16(2)8-15-11/h8H,4-7H2,1-3H3,(H,14,21)(H,19,20)
[InChIKey]

VBOSZPMTSNGBNM-UHFFFAOYSA-N
[SMILES]

C1N(C)C(C(O)=O)=C(N(C)C(NCCCCC(=O)C)=O)N=1
Spectrum DetailBack Directory
[Spectrum Detail]

1H-Imidazole-5-carboxylic acid, 1-methyl-4-[methyl[[(5-oxohexyl)amino]carbonyl]amino]-(84321-40-4)1HNMR
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