361431-13-2 ((9H-Purine-2,6-diamine, N,N'-bis[(4-methoxyphenyl)methyl]-9-methyl-)

CAS号:
361431-13-2
英文名称:
9H-Purine-2,6-diamine, N,N'-bis[(4-methoxyphenyl)methyl]-9-methyl-
分子式:
C22H24N6O2
分子量:
404.464963912964

9H-Purine-2,6-diamine, N,N'-bis[(4-methoxyphenyl)methyl]-9-methyl-(361431-13-2)名称与标识符

名称

英文别名:
9H-Purine-2,6-diamine, N,N'-bis[(4-methoxyphenyl)methyl]-9-methyl-;9H-Purine-2,6-diamine, N2,N6-bis[(4-methoxyphenyl)methyl]-9-methyl-;

标识符

InChIKey:
AIZOQFMMLHFHMM-UHFFFAOYSA-N
Inchi:
1S/C22H24N6O2/c1-28-14-25-19-20(23-12-15-4-8-17(29-2)9-5-15)26-22(27-21(19)28)24-13-16-6-10-18(30-3)11-7-16/h4-11,14H,12-13H2,1-3H3,(H2,23,24,26,27)
SMILES:
N1C2C(=NC(NCC3=CC=C(OC)C=C3)=NC=2NCC2=CC=C(OC)C=C2)N(C)C=1

9H-Purine-2,6-diamine, N,N'-bis[(4-methoxyphenyl)methyl]-9-methyl-(361431-13-2)物化性质

实验特性

  • PSA : 86.12
  • 沸点 : 661.0±65.0 °C(Predicted)
  • 酸度系数(pKa) : 4.76±0.30(Predicted)
  • 密度 : 1.27±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 404.19632