1-[2-(3-Ammoniopropoxy)-5-Methoxybenzyl]-4-Carbamimidoylpiperazin-1-Ium

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Properties Simple | Detailed

Formula C16H30N5O2
IUPAC Name [azaniumylidene(piperazin-1-yl)methyl]azanide; 3-(4-methoxy-2-methyl-phenoxy)propan-1-amine
Molecular Mass 324.442 g·mol−1
Heat of Formation -245.2 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 421.88 Å 3
Surface Area 327.26 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2-[(4-amidinopiperazin-1-ium-1-yl)methyl]-4-methoxy-phenoxy]propylammonium
  • 3-[2-[(4-carbamimidoyl-1-piperazin-1-iumyl)methyl]-4-methoxyphenoxy]propylammonium
  • 3-[2-[(4-carbamimidoylpiperazin-1-ium-1-yl)methyl]-4-methoxy-phenoxy]propylazanium
  • 3-[2-[(4-carbamimidoylpiperazin-1-ium-1-yl)methyl]-4-methoxyphenoxy]propylazanium
InChIKey XWWAFELYNPUCDX-UHFFFAOYSA-P
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