Tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine
C30H30N10
510758-28-8 Copyright (C) 2024 ACS
 40 45  0  0  0  0  0  0  0  0999 V2000
    8.8098   10.2089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2166    9.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6487   11.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5637    9.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3724   11.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   15.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4368    4.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4624   10.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9271   10.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4624   12.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8324   11.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9271   12.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2419   12.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9217   13.8732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9082   11.5967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900   14.0341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7637   12.6271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7248    7.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0585    7.0020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2068    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7383    5.4957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1424   12.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6824   12.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3100   16.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   14.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   16.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   14.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2068    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7468    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4368    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4 18  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 29  1  0  0  0  0
  7 21  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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M  END
> <cas.rn>
510758-28-8

> <cas.index.name>
1H-1,2,3-Triazole-4-methanamine, 1-(phenylmethyl)-N,N-bis[[1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]methyl]-

> <molecular.formula>
C30H30N10

> <molecular.weight>
530.63

> <melting.point.experimental>
141 °C

> <boiling.point.predicted>
762.445±70.00 °C    Press: 760.00 Torr

> <density.predicted>
1.278±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
2.441±0.50    Most Basic Temp: 25 °C

$$$$
