4-[[Bis[[1-(1,1-dimethylethyl)-1H-1,2,3-triazol-4-yl]methyl]amino]methyl]-1H-...
C19H30N10O2
1334179-85-9 Copyright (C) 2024 ACS
 31 33  0  0  0  0  0  0  0  0999 V2000
    6.4927    8.1026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1190    6.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9610    8.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3977    9.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4438    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9838    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4438    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9038    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336   12.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1037   13.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636   10.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7004   10.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0341    9.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3677   10.4756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0341    8.1656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4438    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1979    3.9852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3347    9.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8284    9.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1047   11.0041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673   11.5222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0742   12.1487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9294    9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9598   10.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    7.8539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3666    9.7056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2057    8.1741    0.0000 N   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
  2 17  1  0  0  0  0
  3 22  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 25  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
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 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <cas.rn>
1334179-85-9

> <cas.index.name>
1H-1,2,3-Triazole-1-acetic acid, 4-[[bis[[1-(1,1-dimethylethyl)-1H-1,2,3-triazol-4-yl]methyl]amino]methyl]-

> <molecular.formula>
C19H30N10O2

> <molecular.weight>
430.51

> <melting.point.experimental>
115.5-116.5 °C

> <boiling.point.predicted>
620.692±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.328±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
3.332±0.10    Most Acidic Temp: 25 °C

$$$$
