3-[[[(1R)-1,2,3,4-Tetrahydro-6-(methylphenylamino)-1-naphthalenyl]methyl]amin...
C24H25N3O2
1851373-36-8 Copyright (C) 2025 ACS
 29 32  0  0  1  0  0  0  0  0999 V2000
   10.0100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700    4.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.3347    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    6.6685    0.0000 C   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
    4.6200    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0011    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
    0.0000    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 10  1  1  1  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <cas.rn>
1851373-36-8

> <ca.index.name>
4-Pyridinecarboxylic acid, 3-[[[(1R)-1,2,3,4-tetrahydro-6-(methylphenylamino)-1-naphthalenyl]methyl]amino]-

> <molecular.formula>
C24H25N3O2

> <smiles.canonical>
O=C(O)C=1C=CN=CC1NCC2C3=CC=C(C=C3CCC2)N(C=4C=CC=CC4)C

> <smiles.isomeric>
C(NC=1C(C(O)=O)=CC=NC1)[C@H]2C=3C(=CC(N(C)C4=CC=CC=C4)=CC3)CCC2

> <molecular.weight>
387.48

> <boiling.point.predicted>
681.620±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.244±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
1.553±0.36    Most Acidic Temp: 25 °C

$$$$
