Antazoline
C17H19N3
91-75-8 Copyright (C) 2025 ACS
 20 22  0  0  0  0  0  0  0  0999 V2000
    4.6200    5.1046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    6.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    5.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    3.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    6.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    6.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    7.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    7.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    6.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2463    1.0304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0885    2.2764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1019    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7683    0.7700    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
  2 10  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <cas.rn>
91-75-8

> <ca.index.name>
1H-Imidazole-2-methanamine, 4,5-dihydro-N-phenyl-N-(phenylmethyl)-

> <molecular.formula>
C17H19N3

> <smiles.canonical>
N1=C(NCC1)CN(C=2C=CC=CC2)CC=3C=CC=CC3

> <molecular.weight>
265.35

> <melting.point.experimental>
120-122 °C

> <boiling.point.predicted>
475.488±38.00 °C    Press: 760.00 Torr

> <density.predicted>
1.101±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.experimental>
9.24

$$$$
