1-(3,4-Dichlorobenzyl)-5-Octylbiguanide

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Properties Simple | Detailed

Formula C17H27Cl2N5
IUPAC Name 1-[(e)-n'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octyl-guanidine
Molecular Mass 372.336 g·mol−1
Heat of Formation -37.4 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 455.94 Å 3
Surface Area 349.92 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[amino-[(3,4-dichlorophenyl)methylimino]methyl]-2-octylguanidine
  • 1-[n'-(3,4-dichlorobenzyl)carbamimidoyl]-2-octyl-guanidine
  • 1-[n'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octyl-guanidine
  • 1-[n'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]-2-octylguanidine
  • imidodicarbonimidic diamide, n-((3,4-dichlorophenyl)methyl)-n'-octyl
CAS Number(s)
  • 146510-36-3
InChIKey ZZQMUJGZCZTLQD-UHFFFAOYSA-N
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Elements H C N Cl