6-Aminoquinolyl-N-hydroxysuccinimidyl carbamate
C14H11N3O4
148757-94-2 Copyright (C) 2024 ACS
 21 23  0  0  0  0  0  0  0  0999 V2000
    6.4384    1.3628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1047    2.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    1.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1047    3.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4209    4.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4396    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4396    2.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059    4.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7732    4.4428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1059    1.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7732    1.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7721    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1069    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7721    2.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1069    2.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373    2.1328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2763    3.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0304    1.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    3.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 17  1  0  0  0  0
  5 18  2  0  0  0  0
  6 19  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <cas.rn>
148757-94-2

> <cas.index.name>
Carbamic acid, N-6-quinolinyl-, 2,5-dioxo-1-pyrrolidinyl ester

> <molecular.formula>
C14H11N3O4

> <molecular.weight>
285.26

> <density.predicted>
1.489±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
10.408±0.43    Most Acidic Temp: 25 °C

$$$$
