Dibucaine
C20H29N3O2
85-79-0 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  25 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 9.2401 4.0011 0.0 0
M  V30 2 N 10.0101 5.3348 0.0 0
M  V30 3 O 10.0101 2.6675 0.0 0
M  V30 4 C 11.5501 5.3348 0.0 0
M  V30 5 C 12.3201 6.6684 0.0 0
M  V30 6 N 13.8602 6.6684 0.0 0
M  V30 7 C 14.6302 8.0022 0.0 0
M  V30 8 C 14.6302 5.3348 0.0 0
M  V30 9 C 13.8602 9.3359 0.0 0
M  V30 10 C 16.1702 5.3348 0.0 0
M  V30 11 O 4.6201 6.6684 0.0 0
M  V30 12 C 3.0800 6.6684 0.0 0
M  V30 13 C 2.3100 8.0022 0.0 0
M  V30 14 C 0.7700 8.0022 0.0 0
M  V30 15 C 0.0000 9.3359 0.0 0
M  V30 16 C 6.9301 2.6675 0.0 0
M  V30 17 C 7.7001 4.0011 0.0 0
M  V30 18 C 5.3901 2.6675 0.0 0
M  V30 19 C 7.7001 1.3337 0.0 0
M  V30 20 C 6.9301 5.3348 0.0 0
M  V30 21 N 4.6201 4.0011 0.0 0
M  V30 22 C 4.6201 1.3337 0.0 0
M  V30 23 C 6.9301 0.0000 0.0 0
M  V30 24 C 5.3901 5.3348 0.0 0
M  V30 25 C 5.3901 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 17
M  V30 4 1 2 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 6 7
M  V30 8 1 6 8
M  V30 9 1 7 9
M  V30 10 1 8 10
M  V30 11 1 11 12
M  V30 12 1 11 24
M  V30 13 1 12 13
M  V30 14 1 13 14
M  V30 15 1 14 15
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 16 19
M  V30 19 2 17 20
M  V30 20 1 18 21
M  V30 21 1 18 22
M  V30 22 2 19 23
M  V30 23 1 20 24
M  V30 24 2 21 24
M  V30 25 2 22 25
M  V30 26 1 23 25
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
85-79-0

> <cas.index.name>
4-Quinolinecarboxamide, 2-butoxy-N-[2-(diethylamino)ethyl]-

> <molecular.formula>
C20H29N3O2

> <molecular.weight>
343.46

> <melting.point.experimental>
64 °C

> <boiling.point.predicted>
496.3±40.0 °C    Press: 760 Torr

> <density.predicted>
1.071±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.90±0.46    Most Acidic Temp: 25 °C

$$$$
