Isoproterenol
C11H17NO3
7683-59-2 Copyright (C) 2025 ACS
 15 15  0  0  0  0  0  0  0  0999 V2000
    6.1600    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    2.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    6.6685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <cas.rn>
7683-59-2

> <cas.index.name>
1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-

> <molecular.formula>
C11H17NO3

> <molecular.weight>
211.26

> <melting.point.experimental>
170.5 °C

> <boiling.point.predicted>
417.480±40.00 °C    Press: 760.00 Torr

> <density.experimental>
1.32 g/cm³

> <pka.predicted>
9.596±0.10    Most Acidic Temp: 25 °C

$$$$
