4-(2-{[2-(4-Amino-4-Methylcyclohexyl)-2-Propanyl]Amino}-1-Hydroxyethyl)-1,2-Benzenediol

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Properties Simple | Detailed

Formula C18H30N2O3
IUPAC Name 4-[(1r)-2-[[1-(4-amino-4-methyl-cyclohexyl)-1-methyl-ethyl]amino]-1-hydroxy-ethyl]benzene-1,2-diol
Molecular Mass 322.442 g·mol−1
Heat of Formation -617.8 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 421.43 Å 3
Surface Area 356.38 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 3.16 ± eV
Point Group Symmetry C1
InChIKey KLPVJBPCZSWVRQ-QANKJYHBSA-N
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