Daminozide
C6H12N2O3
1596-84-5 Copyright (C) 2024 ACS
 11 10  0  0  0  0  0  0  0  0999 V2000
    4.0011    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
> <cas.rn>
1596-84-5

> <cas.index.name>
Butanedioic acid, 1-(2,2-dimethylhydrazide)

> <molecular.formula>
C6H12N2O3

> <molecular.weight>
160.17

> <melting.point.experimental>
154-155 °C

> <density.predicted>
1.183±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
5.586±0.10    Most Acidic Temp: 25 °C

$$$$
