Pentamidine
C19H24N4O2
100-33-4 Copyright (C) 2024 ACS
 25 26  0  0  0  0  0  0  0  0999 V2000
    1.3337    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0057    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3393    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3382    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <cas.rn>
100-33-4

> <cas.index.name>
Benzenecarboximidamide, 4,4′-[1,5-pentanediylbis(oxy)]bis-

> <molecular.formula>
C19H24N4O2

> <molecular.weight>
340.42

> <boiling.point.predicted>
539.388±60.00 °C    Press: 760.00 Torr

> <density.predicted>
1.209±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.799±0.50    Most Basic Temp: 25 °C

$$$$
