6-Ethyl-5,6,7,8-Tetrahydro-4H-Oxazolo[4,5-D]Azepin-2-Amine

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Properties Simple | Detailed

Formula C9H15N3O
IUPAC Name (6r)-6-ethyl-4,5,7,8-tetrahydrooxazolo[4,5-d]azepin-2-amine
Molecular Mass 181.235 g·mol−1
Heat of Formation -55.3 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 223.37 Å 3
Surface Area 210.82 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 3.55 ± eV
Point Group Symmetry C1
Synonyms
  • (6-ethyl-4,5,7,8-tetrahydrooxazolo[5,4-d]azepin-2-yl)amine
  • 2-amino-6-ethyl-5,6,7,8-tetrahydro-4h-oxazolo(4,5-d)azepine
  • 4h-oxazolo(4,5-d)azepin-2-amine, 6-ethyl-5,6,7,8-tetrahydro-
  • 4h-oxazolo(4,5-d)azepin-2-amine, 6-ethyl-5,6,7,8-tetrahydro-, dihydrochloride
  • 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[5,4-d]azepin-2-amine
  • 6-ethyl-4,5,7,8-tetrahydrooxazolo[5,4-d]azepin-2-amine
  • azepexole [ban:inn]
  • pdsp1_000180
  • pdsp1_000622
  • pdsp2_000179
  • pdsp2_000619
InChIKey ZNXAJGZPUQOEDZ-UHFFFAOYSA-N
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