Bupivacaine
C18H28N2O
38396-39-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  21 22 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.6200 4.0011 0.0 0
M  V30 2 N 3.0800 4.0011 0.0 0
M  V30 3 O 5.3900 5.3347 0.0 0
M  V30 4 C 7.7000 4.0011 0.0 0
M  V30 5 C 9.2400 4.0011 0.0 0
M  V30 6 C 10.0100 5.3347 0.0 0
M  V30 7 C 11.5500 5.3347 0.0 0
M  V30 8 C 0.0000 4.0011 0.0 0
M  V30 9 C 4.6200 6.6685 0.0 0
M  V30 10 C 5.3900 2.6674 0.0 0
M  V30 11 N 6.9300 2.6674 0.0 0
M  V30 12 C 4.6200 1.3336 0.0 0
M  V30 13 C 7.7000 1.3336 0.0 0
M  V30 14 C 5.3900 0.0000 0.0 0
M  V30 15 C 6.9300 0.0000 0.0 0
M  V30 16 C 2.3100 5.3347 0.0 0
M  V30 17 C 0.7700 5.3347 0.0 0
M  V30 18 C 3.0800 6.6685 0.0 0
M  V30 19 C 0.0000 6.6685 0.0 0
M  V30 20 C 2.3100 8.0021 0.0 0
M  V30 21 C 0.7700 8.0021 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 10
M  V30 4 1 2 16
M  V30 5 1 4 5
M  V30 6 1 4 11
M  V30 7 1 5 6
M  V30 8 1 6 7
M  V30 9 1 8 17
M  V30 10 1 9 18
M  V30 11 1 10 11
M  V30 12 1 10 12
M  V30 13 1 11 13
M  V30 14 1 12 14
M  V30 15 1 13 15
M  V30 16 1 14 15
M  V30 17 2 16 17
M  V30 18 1 16 18
M  V30 19 1 17 19
M  V30 20 2 18 20
M  V30 21 2 19 21
M  V30 22 1 20 21
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
38396-39-3

> <cas.index.name>
2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-

> <molecular.formula>
C18H28N2O

> <molecular.weight>
288.43

> <melting.point.experimental>
107-108 °C

> <boiling.point.predicted>
423.4±45.0 °C    Press: 760 Torr

> <density.predicted>
1.032±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
14.85±0.70    Most Acidic Temp: 25 °C

$$$$
