5-Methyl-8-Propyl-2H-1,3-Benzoxazine-3(4H)-Ethanol

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Properties Simple | Detailed

Formula C14H21NO2
IUPAC Name 2-[(3r)-5-methyl-8-propyl-2,4-dihydro-1,3-benzoxazin-3-yl]ethanol
Molecular Mass 235.322 g·mol−1
Heat of Formation -338.1 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 306.34 Å 3
Surface Area 281.44 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(5-methyl-8-propyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethanol
  • 2h-1,3-benzoxazine-3(4h)-ethanol, 5-methyl-8-propyl-
  • 3-(hydroxyethyl)-5-methyl-8-(2-methylethyl)-3,4-dihydro-2h-1,3-benzoxazine
  • 3-hmmdb
CAS Number(s)
  • 117652-03-6
InChIKey KVVOGCVXVAYLDV-UHFFFAOYSA-N
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