2555-02-4 ((1-(4-Pyridyl)ethyl acetate)

CAS号:
2555-02-4
英文名称:
1-(4-Pyridyl)ethyl acetate
分子式:
C9H11NO2
分子量:
165.189142465591

1-(4-Pyridyl)ethyl acetate(2555-02-4)名称与标识符

名称

英文别名:
1-(4-Pyridyl)ethyl acetate;1-(4-Pyridyl)ethylacetat;acetic acid-(1-[4]pyridyl-ethyl ester);Essigsaeure-(1-[4]pyridyl-aethylester);4-pyridylethyl acetate;4-[1-Acetoxy-ethyl]-pyridin;1-acetoxy-1-pyridin-4-yl-ethane;;4-Pyridinemethanol, α-methyl-, 4-acetate;

标识符

InChIKey:
VZDAAWRAUVWOPJ-UHFFFAOYSA-N
Inchi:
1S/C9H11NO2/c1-7(12-8(2)11)9-3-5-10-6-4-9/h3-7H,1-2H3
SMILES:
C(C1=CC=NC=C1)(C)OC(=O)C

1-(4-Pyridyl)ethyl acetate(2555-02-4)物化性质

实验特性

  • LogP : 1.70570
  • PSA : 39.19000
  • 沸点 : 240.3±15.0 °C(Predicted)
  • 酸度系数(pKa) : 5.08±0.26(Predicted)
  • 密度 : 1.081±0.06 g/cm3(Predicted)

计算特性

  • 精确分子量 : 165.07900