Pilocarpine
C11H16N2O2
92-13-7 Copyright (C) 2024 ACS
 15 16  0  0  1  0  0  0  0  0999 V2000
    3.7708    1.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8314    0.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2960    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0732    2.9656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7104    0.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1045    2.6085    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5113    1.9822    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2655    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5416    3.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7717    4.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    2.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0305    1.9822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2763    4.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.4602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  1  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  7  2  1  1  0  0  0
  4  9  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <cas.rn>
92-13-7

> <cas.index.name>
2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S,4R)-

> <molecular.formula>
C11H16N2O2

> <molecular.weight>
208.26

> <melting.point.experimental>
34 °C

> <boiling.point.experimental>
260 °C    Press: 5 Torr

> <density.predicted>
1.224±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
7.015±0.10    Most Basic Temp: 25 °C

$$$$
