2-Methyl-2-Propanyl [(1S)-2-Methyl-1-(5-Methyl-4-Oxo-4H-3,1-Benzoxazin-2-Yl)Propyl]Carbamate

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Formula C18H25N2O4+
IUPAC Name tert-butyl n-[(1s)-2-methyl-1-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)propyl]carbamate
Molecular Mass 333.402 g·mol−1
Heat of Formation -736.0 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 409.19 Å 3
Surface Area 362.37 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • (1-(5-methyl-4-oxo-4h-3,1-benzoxazin-2-yl)-2-methylpropyl)carbamic acid 1,1-dimethylethyl ester
  • 5-mobce
  • n-[(1s)-1-(4-keto-5-methyl-3,1-benzoxazin-2-yl)-2-methyl-propyl]carbamic acid tert-butyl ester
  • n-[(1s)-2-methyl-1-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)propyl]carbamic acid tert-butyl ester
  • tert-butyl n-[(1s)-2-methyl-1-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)propyl]carbamate
CAS Number(s)
  • 108562-42-1
InChIKey VSYABKQYUKTACZ-AWEZNQCLSA-N
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