Selenomethionine
C5H11NO2Se
1464-42-2 Copyright (C) 2024 ACS
  9  8  0  0  0  0  0  0  0  0999 V2000
    2.6674    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    5.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    6.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.7700    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    5.3349    0.0000    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  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <cas.rn>
1464-42-2

> <cas.index.name>
Butanoic acid, 2-amino-4-(methylseleno)-

> <molecular.formula>
C5H11NO2Se

> <molecular.weight>
196.11

> <melting.point.experimental>
265 °C (decomp)

> <boiling.point.predicted>
320.780±37.00 °C    Press: 760.00 Torr

> <pka.predicted>
2.261±0.10    Most Acidic Temp: 25 °C

$$$$
