5-[3-(Tert-Butylamino)-2-Hydroxypropoxy]-3,4-Dihydroisoquinoline-2(1H)-Carbaldehyde

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Properties Simple | Detailed

Formula C17H26N2O3
IUPAC Name 5-[(2r)-3-(tert-butylamino)-2-hydroxy-propoxy]-3,4-dihydro-1h-isoquinoline-2-carbaldehyde
Molecular Mass 306.400 g·mol−1
Heat of Formation -535.2 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 395.33 Å 3
Surface Area 319.23 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
InChIKey GMJHUSJLZXFFQJ-CQSZACIVSA-N
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