Asymmetric dimethylarginine
C8H18N4O2
30315-93-6 Copyright (C) 2025 ACS
 14 13  0  0  1  0  0  0  0  0999 V2000
    2.6674    8.4700    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6674    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    9.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    9.2400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336   10.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    3.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    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  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <cas.rn>
30315-93-6

> <cas.index.name>
L-Ornithine, N5-[(dimethylamino)iminomethyl]-

> <molecular.formula>
C8H18N4O2

> <molecular.weight>
202.25

> <boiling.point.predicted>
340.772±52.00 °C    Press: 760.00 Torr

> <density.predicted>
1.239±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
2.497±0.24    Most Acidic Temp: 25 °C

$$$$
