1-(3,4-Dichlorobenzyl)Tetrahydro-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C11H12Cl2N2O
IUPAC Name 1-[(3,4-dichlorophenyl)methyl]hexahydropyrimidin-2-one
Molecular Mass 259.132 g·mol−1
Heat of Formation -170.8 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 280.25 Å 3
Surface Area 254.24 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3,4-dichlorobenzyl)-3,4,5,6-tetrahydro-2(1h)-pyrimidone
  • 1-(3,4-dichlorobenzyl)hexahydropyrimidin-2-one
  • 1-[(3,4-dichlorophenyl)methyl]-1,3-diazinan-2-one
  • 1-[(3,4-dichlorophenyl)methyl]-2-hexahydropyrimidinone
  • 2(1h)-pyrimidinone, 1-((3,4-dichlorophenyl)methyl)tetrahydro-
  • 2(1h)-pyrimidinone, tetrahydro-1-((3,4-dichlorophenyl)methyl)-
  • tetrahydro-1-((3,4-dichlorophenyl)methyl)-2(1h)-pyrimidinone
CAS Number(s)
  • 34790-06-2
InChIKey FZZIZWYKUWSBAM-UHFFFAOYSA-N
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Elements H C N O Cl