Alanine
C3H7NO2
302-72-7 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  6 5 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 2.6673 1.5400 0.0 0
M  V30 2 C 1.3337 2.3101 0.0 0
M  V30 3 C 2.6673 0.0000 0.0 0
M  V30 4 N 4.0010 2.3101 0.0 0
M  V30 5 O 0.0000 1.5400 0.0 0
M  V30 6 O 1.3337 3.8501 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 4
M  V30 4 1 2 5
M  V30 5 2 2 6
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
302-72-7

> <cas.index.name>
Alanine

> <molecular.formula>
C3H7NO2

> <molecular.weight>
89.09

> <melting.point.experimental>
300 °C (decomp)

> <boiling.point.predicted>
212.9±23.0 °C    Press: 760 Torr

> <density.predicted>
1.161±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
2.31±0.10    Most Acidic Temp: 25 °C

$$$$
