22061-11-6 ((1-Octanaminium, N-methyl-N,N-dioctyl-)

快速询单

结构式：

1-Octanaminium, N-methyl-N,N-dioctyl-MOL文件

CAS号：

22061-11-6

英文名称：

1-Octanaminium, N-methyl-N,N-dioctyl-

分子式：

C₂₅H₅₄N

分子量：

368.702968120575

1-Octanaminium, N-methyl-N,N-dioctyl-(22061-11-6)名称与标识符

名称

英文别名：

1-Octanaminium, N-methyl-N,N-dioctyl-;methyl(trioctyl)azanium;CHEMBL1197179;NSC-221149;DTXSID7045027;NSC221149;tricaprylmethylammonium;methyltricaprylylammonium;AKOS024269110;tricaprylylmethylammonium;Q27145197;N-methyl-N,N-dioctyl-1-octanaminium;OSG1QL6NZ0;CHEBI:75293;Tricaprylyl(monomethyl)ammonium;N-methyl-N,N-dioctyloctan-1-aminium;SCHEMBL80010;UNII-OSG1QL6NZ0;Trioctylmethylammonium;Ammonium, methyltrioctyl-;methyltrioctylammonium;Methyltricaprylylammonium cation;22061-11-6;Methyltricaprylylammonium ion;Trioctylmethylammonium cation;

标识符

InChIKey：

ZUZLIXGTXQBUDC-UHFFFAOYSA-N

Inchi：

1S/C25H54N/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-25H2,1-4H3/q+1

SMILES：

[N+](C)(CCCCCCCC)(CCCCCCCC)CCCCCCCC

1-Octanaminium, N-methyl-N,N-dioctyl-(22061-11-6)物化性质

实验特性

PSA : 0

计算特性

精确分子量 : 368.42592
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 21
同位素质量 : 368.425625727g/mol
重原子数量 : 26
复杂度 : 220
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 : 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） : 10.5
拓扑分子极性表面积 : 0Å²

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