α-(Methylamino)isobutyric acid
C5H11NO2
2566-34-9 Copyright (C) 2024 ACS
  8  7  0  0  0  0  0  0  0  0999 V2000
    2.3101    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437    1.8973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    4.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9762    3.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9774    2.6673    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
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
M  END
> <cas.rn>
2566-34-9

> <cas.index.name>
Alanine, N,2-dimethyl-

> <molecular.formula>
C5H11NO2

> <molecular.weight>
117.15

> <melting.point.experimental>
264-266 °C

> <boiling.point.predicted>
192.499±23.00 °C    Press: 760.00 Torr

> <density.predicted>
1.023±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
2.166±0.10    Most Acidic Temp: 25 °C

$$$$
