3-Amino-6-chloro-α,α-dimethyl-2-quinolinemethanol
C12H13ClN2O
916056-79-6 Copyright (C) 2024 ACS
 16 17  0  0  0  0  0  0  0  0999 V2000
    1.5400    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    1.1274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.2074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    4.0011    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    4.0011    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 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  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
M  END
> <cas.rn>
916056-79-6

> <cas.index.name>
2-Quinolinemethanol, 3-amino-6-chloro-α,α-dimethyl-

> <molecular.formula>
C12H13ClN2O

> <molecular.weight>
236.70

> <boiling.point.predicted>
410.476±40.00 °C    Press: 760.00 Torr

> <density.predicted>
1.325±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.071±0.29    Most Acidic Temp: 25 °C

$$$$
