HCID2734118

N,N,N-Trioctyloctan-1-Aminium

tetraoctylazanium

C32H68N+466.9 g/molCAS 19524-73-3

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IDENTITY

结构与身份

标准SMILES: CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
InChIKey: CHYBTAZWINMGHA-UHFFFAOYSA-N
分子式: C32H68N+
平均分子量: 466.9 g/mol
单同位素质量: 466.53517617

COMPUTED

结构计算性质

已同步

XLogP: 13.9
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 0
可旋转键: 28
重原子: 33
形式电荷: 1
复杂度: 281

PROPERTIES

实验与物化性质

来源：PubChem

Collision Cross Section

256.6 Å² [M]+ [CCS Type: DT; Method: stepped-field]

254.8 Å² [M*]+

ALIASES

名称与别名

共 15 条

N,N,N-Trioctyloctan-1-Aminiumtetraoctylazanium bromidetetra-n-octylammoniumTAA8SCHEMBL7072719524-73-3CHEMBL1233454DTXSID9048067CHYBTAZWINMGHA-UHFFFAOYSA-NCGC00091022-02NCGC00091022-03NCGC00091022-04Q27461256HX0InChI=1/C32H68N/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-32H2,1-4H3/q+1

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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