504-12-1 ((1R,3R,5S)-9-氮杂双环[3.3.1]壬-3-醇,Endo-9-azabicyclo[3.3.1]nonan-3-ol)

快速询单

结构式：

(1R,3R,5S)-9-氮杂双环[3.3.1]壬-3-醇MOL文件

CAS号：

504-12-1

中文名称：

(1R,3R,5S)-9-氮杂双环[3.3.1]壬-3-醇

英文名称：

Endo-9-azabicyclo[3.3.1]nonan-3-ol

分子式：

C₈H₁₅NO

分子量：

141.2108

(1R,3R,5S)-9-氮杂双环[3.3.1]壬-3-醇(504-12-1)名称与标识符

名称

英文别名：

endo-9-azabicyclo[3.3.1]nonan-3-ol;exo-9-azabicyclo[3.3.1]nonan-3-ol;SB11524;SB11526;9-Azabicyclo[3.3.1]nonan-3-ol,(3-endo)-;(1R,3R,5S)-9-azabicyclo[3.3.1]nonan-3-ol;SCHEMBL910861;P12558;(1S,5R)-9-azabicyclo[3.3.1]nonan-3-ol;504-12-1;CS-0032303;(1r,3s,5s)-9-azabicyclo[3.3.1]nonan-3-ol;AKOS006287578;P10492;CS-13099;AKOS006349370;EN300-6999048;(1R,5S)-9-AZABICYCLO[3.3.1]NONAN-3-OL;SCHEMBL911003;

标识符

InChIKey：

LAZFLHAAIKYNNV-DHBOJHSNSA-N

Inchi：

1S/C8H15NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-10H,1-5H2/t6-,7+,8?

SMILES：

O([H])C1([H])C([H])([H])[C@@]2([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C1([H])[H])N2[H]

(1R,3R,5S)-9-氮杂双环[3.3.1]壬-3-醇(504-12-1)物化性质

计算特性

精确分子量 : 141.115364102g/mol
氢键供体数量 : 2
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 141.115364102g/mol
重原子数量 : 10
复杂度 : 114
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） : 0.6
拓扑分子极性表面积 : 32.299

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(1R,3R,5S)-9-氮杂双环[3.3.1]壬-3-醇(504-12-1)相关文献

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