Dopamine
C8H11NO2
51-61-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  11 11 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.1601 2.6673 0.0 0
M  V30 2 C 6.9302 4.0010 0.0 0
M  V30 3 N 8.4702 4.0010 0.0 0
M  V30 4 O 1.5400 0.0000 0.0 0
M  V30 5 O 0.0000 2.6673 0.0 0
M  V30 6 C 4.6201 2.6673 0.0 0
M  V30 7 C 3.8501 1.3337 0.0 0
M  V30 8 C 3.8501 4.0010 0.0 0
M  V30 9 C 2.3101 1.3337 0.0 0
M  V30 10 C 2.3101 4.0010 0.0 0
M  V30 11 C 1.5400 2.6673 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 6
M  V30 3 1 2 3
M  V30 4 1 4 9
M  V30 5 1 5 11
M  V30 6 2 6 7
M  V30 7 1 6 8
M  V30 8 1 7 9
M  V30 9 2 8 10
M  V30 10 2 9 11
M  V30 11 1 10 11
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
51-61-6

> <cas.index.name>
1,2-Benzenediol, 4-(2-aminoethyl)-

> <molecular.formula>
C8H11NO2

> <molecular.weight>
153.18

> <melting.point.experimental>
128 °C

> <boiling.point.experimental>
227 °C

> <density.predicted>
1.247±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.39±0.31    Most Acidic Temp: 25 °C

$$$$
