Hexamethylene amiloride
C12H18ClN7O
1428-95-1 Copyright (C) 2025 ACS
 21 22  0  0  0  0  0  0  0  0999 V2000
    5.9740    1.0432    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9740    7.2032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6414    5.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750    4.8932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6414    7.2032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3087    5.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3087    7.2032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6425    4.8932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6403    3.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9740    2.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6403    4.8932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3078    3.3532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9740    5.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3078    4.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3067    2.5832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0342    3.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4217    1.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5627    2.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2929    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    0.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <cas.rn>
1428-95-1

> <cas.index.name>
2-Pyrazinecarboxamide, 3-amino-N-(aminoiminomethyl)-6-chloro-5-(hexahydro-1H-azepin-1-yl)-

> <molecular.formula>
C12H18ClN7O

> <molecular.weight>
311.77

> <melting.point.experimental>
224-225 °C

> <density.predicted>
1.635±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
