76272-56-5 (内向-3-氨基-9-甲基-9-氮杂双环[3,3,1]壬烷,endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine)

CAS号:
76272-56-5
中文名称:
内向-3-氨基-9-甲基-9-氮杂双环[3,3,1]壬烷
英文名称:
endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
分子式:
C9H18N2
分子量:
154.252622127533

内向-3-氨基-9-甲基-9-氮杂双环[3,3,1]壬烷(76272-56-5)名称与标识符

名称

中文别名:
内向-3-氨基-9-甲基-9-氮杂双环[3,3,1]壬烷;内向-9-甲基-9-氮杂双环[3,3,1]壬烷-3-胺;3-高托品烷胺;3α-高托品烷胺;内-3-胺-9-甲基-9-氮杂双环[3,3,1]壬烷;内向-3-氨基-9-甲基-9-氮杂双环(3,3,1)壬烷;内向-3-氨基-9-甲基-9-氮杂双环[3,3,1]壬烷(3-高托品烷胺);内向-9-甲基-9-氮杂双环;内向-9-甲基-9-氮杂双环[3,3,1];1-氨基-9-甲基-9-氮杂双环[3.3.1]壬烷;内向-3-氨基-9-甲基-9-氮杂双环[3,3,]壬烷;
英文别名:
ENDO-9-METHYL-9-AZABICYCLO [3,3,1]-NONAN-3-AMINE;endo-3-amine-9-methyl-9-azabicyclo[3,3,1]nonane;endo-9-methyl-9-azabicyclo[3,3,1]nonan-3-amine;Endo-3-amino-9-methyl-9-azabicyclo[3,3,1]nonane;endo-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine (Granisetron Impurity E);3-Amino-9-methyl-9-azabicyclo[3,3,1]nonane;9-Azabicyclo[3.3.1]nonan-3-amine, 9-methyl-, (3-endo)-;ENDO-9-METHYL-9-AZABICYCLO(3.3.1)-NONAN-3-AMINE;Endo-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;endo-9-Methyl-9-azabicyclo[3.3.1]nonan-3-amine (Granisetron Impurity E);exo ca 5;EXO-3-AMINO-9-METHYL-9-AZABICYCLO[3,3,1]NONANE;Endo-3-amino-9-methyl-9-azabicyclo[3.3.1]nonane;(1r,3r,5s)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;(1R,3S,5S)-9-METHYL-9-AZABICYCLO[3.3.1]NONAN-3-AMINE;endo-9-methyl-9-azabicyclo(;endo-9-methyl-9-azabicyclo[3,3,1]-nonan-3-amine;endo-9-methyl-9-azabicyclo[;(1R,5S)-9-methyl-9-azabicyclo[;SCHEMBL2087274;endo-9-methyl-9-azabicyclo[3,3,1] nonan-3-amine;Granisetron impurity E;SCHEMBL703571;AKOS006292070;endo-3-amino-9-methyl-9-azabicyclo[;AS-36074;(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;HTZWHTQVHWHSHN-CBLAIPOGSA-N;AKOS006284832;Z1198169339;MFCD12198832;CS-0049373;endo-9-methyl-9-aza-bicyclo[;AS-14206;BCP16661;(3-ENDO)-9-METHYL-9-AZABICYCLO[3.3.1]NONAN-3-AMINE;76272-41-8;endo-3-Amine-9-methyl-9-azabicyclo[3 pound not3 pound not1]nonane;76272-56-5;9-methyl-9-aza-bicyclo[3,3,1]non-3-yl-amine;SCHEMBL4924453;exo-3-amino-9-methyl-9-azabicyclo[3.3.1]nonane;AKOS025212606;BDA27241;Endo-3-Amine-9-Methyl-9-Azabicyclo[3,3,1]Nonan;EN300-1715967;

标识符

MDL:
MFCD07374273
InChIKey:
HTZWHTQVHWHSHN-CBLAIPOGSA-N
Inchi:
1S/C9H18N2/c1-11-8-3-2-4-9(11)6-7(10)5-8/h7-9H,2-6,10H2,1H3/t7?,8-,9+
SMILES:
N1(C)[C@@H]2CCC[C@H]1CC(C2)N

内向-3-氨基-9-甲基-9-氮杂双环[3,3,1]壬烷(76272-56-5)物化性质

实验特性

  • LogP : 1.59860
  • PSA : 29.26000
  • 折射率 : 1.517
  • 沸点 : 115-119 ºC (18 mmHg)
  • 熔点 : 72.1°C
  • 闪点 : 67.3℃
  • 颜色与性状 : Pale-yellow to Yellow-brown Liquid
  • 密度 : 0.968

计算特性

  • 精确分子量 : 154.14700
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 154.146998583g/mol
  • 重原子数量 : 11
  • 复杂度 : 133
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.9
  • 拓扑分子极性表面积 : 29.3

内向-3-氨基-9-甲基-9-氮杂双环[3,3,1]壬烷(76272-56-5)安全信息

内向-3-氨基-9-甲基-9-氮杂双环[3,3,1]壬烷(76272-56-5)生产方法和用途

用途:
是药物格拉司琼中间体

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