Propranolol
C16H21NO2
525-66-6 Copyright (C) 2024 ACS
 19 20  0  0  0  0  0  0  0  0999 V2000
    5.3348    3.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <cas.rn>
525-66-6

> <cas.index.name>
2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-

> <molecular.formula>
C16H21NO2

> <molecular.weight>
259.34

> <melting.point.experimental>
96 °C

> <boiling.point.predicted>
434.857±30.00 °C    Press: 760.00 Torr

> <density.experimental>
0.44 g/cm³

> <pka.predicted>
13.840±0.20    Most Acidic Temp: 25 °C

$$$$
