L-Carnosine
C9H14N4O3
305-84-0 Copyright (C) 2025 ACS
 16 16  0  0  1  0  0  0  0  0999 V2000
    4.1617    2.6674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6217    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9317    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9317    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4717    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1617    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4717    1.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417    2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7817    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5517    6.6685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8517    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782    5.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3202    4.1620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    6.4384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6684    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  6  0  0  0
  1  4  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
> <cas.rn>
305-84-0

> <cas.index.name>
L-Histidine, β-alanyl-

> <molecular.formula>
C9H14N4O3

> <molecular.weight>
226.23

> <melting.point.experimental>
260 °C

> <boiling.point.predicted>
656.236±55.00 °C    Press: 760.00 Torr

> <density.experimental>
0.224 g/cm³ (crystal) (crystals)

> <pka.experimental>
6.83

$$$$
