1,6-Dihydro-6-imino-4-(1-piperidinyl)-1-(sulfooxy)-2-pyrimidinamine
C9H15N5O4S
83701-22-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  19 20 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.1037 2.6675 0.0 0
M  V30 2 S 1.3337 4.0012 0.0 0 VAL=6
M  V30 3 O 0.5637 5.3350 0.0 0
M  V30 4 O 0.0000 3.2311 0.0 0
M  V30 5 O 2.6673 4.7712 0.0 0
M  V30 6 N 3.6437 5.3350 0.0 0
M  V30 7 N 3.6437 0.0000 0.0 0
M  V30 8 N 3.6437 2.6675 0.0 0
M  V30 9 C 4.4137 4.0012 0.0 0
M  V30 10 C 4.4137 1.3338 0.0 0
M  V30 11 C 5.9538 4.0012 0.0 0
M  V30 12 N 5.9538 1.3338 0.0 0
M  V30 13 C 6.7238 2.6675 0.0 0
M  V30 14 N 8.2638 2.6675 0.0 0
M  V30 15 C 9.0338 1.3338 0.0 0
M  V30 16 C 9.0338 4.0012 0.0 0
M  V30 17 C 10.5739 1.3338 0.0 0
M  V30 18 C 10.5739 4.0012 0.0 0
M  V30 19 C 11.3439 2.6675 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 8
M  V30 3 2 2 3
M  V30 4 2 2 4
M  V30 5 1 2 5
M  V30 6 2 6 9
M  V30 7 1 7 10
M  V30 8 1 8 9
M  V30 9 1 8 10
M  V30 10 1 9 11
M  V30 11 2 10 12
M  V30 12 2 11 13
M  V30 13 1 12 13
M  V30 14 1 13 14
M  V30 15 1 14 15
M  V30 16 1 14 16
M  V30 17 1 15 17
M  V30 18 1 16 18
M  V30 19 1 17 19
M  V30 20 1 18 19
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
83701-22-8

> <cas.index.name>
2-Pyrimidinamine, 1,6-dihydro-6-imino-4-(1-piperidinyl)-1-(sulfooxy)-

> <molecular.formula>
C9H15N5O4S

> <molecular.weight>
289.31

> <density.predicted>
1.75±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
-4.99±0.18    Most Acidic Temp: 25 °C

$$$$
