Terbutaline
C12H19NO3
23031-25-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  16 16 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.3348 4.6201 0.0 0
M  V30 2 C 6.6685 3.8501 0.0 0
M  V30 3 O 5.3348 6.1601 0.0 0
M  V30 4 N 8.0023 4.6201 0.0 0
M  V30 5 C 9.3360 3.8501 0.0 0
M  V30 6 C 10.1060 5.1838 0.0 0
M  V30 7 C 10.6697 3.0801 0.0 0
M  V30 8 C 8.5660 2.5164 0.0 0
M  V30 9 O 0.0000 4.6201 0.0 0
M  V30 10 O 2.6673 0.0000 0.0 0
M  V30 11 C 4.0012 3.8501 0.0 0
M  V30 12 C 2.6673 4.6201 0.0 0
M  V30 13 C 4.0012 2.3101 0.0 0
M  V30 14 C 1.3337 3.8501 0.0 0
M  V30 15 C 2.6673 1.5400 0.0 0
M  V30 16 C 1.3337 2.3101 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 11
M  V30 4 1 2 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 5 7
M  V30 8 1 5 8
M  V30 9 1 9 14
M  V30 10 1 10 15
M  V30 11 2 11 12
M  V30 12 1 11 13
M  V30 13 1 12 14
M  V30 14 2 13 15
M  V30 15 2 14 16
M  V30 16 1 15 16
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
23031-25-6

> <cas.index.name>
1,3-Benzenediol, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-

> <molecular.formula>
C12H19NO3

> <molecular.weight>
225.28

> <melting.point.experimental>
119-120 °C

> <boiling.point.predicted>
419.2±40.0 °C    Press: 760 Torr

> <density.predicted>
1.171±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.11±0.10    Most Acidic Temp: 25 °C

$$$$
