83168-64-3 (3-氨基-1,2,4-丁烷三醇,3-aminobutane-1,2,4-triol)

快速询单

结构式：

3-氨基-1,2,4-丁烷三醇MOL文件

CAS号：

83168-64-3

中文名称：

3-氨基-1,2,4-丁烷三醇

英文名称：

3-aminobutane-1,2,4-triol

分子式：

C₄H₁₁NO₃

分子量：

121.135041475296

3-氨基-1,2,4-丁烷三醇(83168-64-3)名称与标识符

名称

中文别名：

3-氨基-1,2,4-丁烷三醇;

英文别名：

3-aminobutane-1,2,4-triol;3-amino-1,2,4-Butanetriol;83168-64-3;DTXSID101312609;NS00059925;FT-0753928;2-amino-1,3,4-butanetriol;AKOS006340691;SCHEMBL599295;EINECS 280-205-1;PMLGQXIKBPFHJZ-UHFFFAOYSA-N;DA-19735;

标识符

InChIKey：

PMLGQXIKBPFHJZ-UHFFFAOYSA-N

Inchi：

1S/C4H11NO3/c5-3(1-6)4(8)2-7/h3-4,6-8H,1-2,5H2

SMILES：

OC(CO)C(CO)N

3-氨基-1,2,4-丁烷三醇(83168-64-3)物化性质

计算特性

精确分子量 : 121.07389321g/mol
氢键供体数量 : 4
氢键受体数量 : 4
可旋转化学键数量 : 3
同位素质量 : 121.07389321g/mol
重原子数量 : 8
复杂度 : 59.2
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 2
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） : -2.6
拓扑分子极性表面积 : 86.7Å²

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83168-64-3 (3-氨基-1,2,4-丁烷三醇,3-aminobutane-1,2,4-triol)

3-氨基-1,2,4-丁烷三醇(83168-64-3)名称与标识符

名称

标识符

3-氨基-1,2,4-丁烷三醇(83168-64-3)物化性质

计算特性

3-氨基-1,2,4-丁烷三醇(83168-64-3)相关文献

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