3-Oxido-6-(1-Piperidyl)Pyrimidin-1-Ium-2,4-Diamine

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Properties Simple | Detailed

Formula C9H21N5O
IUPAC Name (2r,3r,4s,6r)-3-hydroxy-6-(1-piperidyl)hexahydropyrimidine-2,4-diamine
Molecular Mass 215.296 g·mol−1
Heat of Formation -37.3 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 270.73 Å 3
Surface Area 244.68 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.02 ± eV
Point Group Symmetry C1
InChIKey CCNAZRQGDJQOEI-UHFFFAOYSA-N
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