Amiloride
C6H8ClN7O
2609-46-3 Copyright (C) 2024 ACS
 15 15  0  0  0  0  0  0  0  0999 V2000
    5.3347    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    6.1600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    6.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    6.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  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>
2609-46-3

> <cas.index.name>
2-Pyrazinecarboxamide, 3,5-diamino-N-(aminoiminomethyl)-6-chloro-

> <molecular.formula>
C6H8ClN7O

> <molecular.weight>
229.63

> <melting.point.experimental>
241 °C

> <density.predicted>
2.115±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
8.658±0.46    Most Acidic Temp: 25 °C

$$$$
