1-Octadecanamine,N,N-dioctadecyl- | 102-88-5
英文名称:
1-Octadecanamine,N,N-dioctadecyl-
CAS No.:
102-88-5
分子式:
C5 4 H1 1 1 N
分子量:
774.46584
名称和标识符
InChIKey
BUHHOHWMNZQMTA-UHFFFAOYSA-N
Inchi
InChI=1S/C54H111N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55(53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3
SMILES
C(N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
别名信息
- 英文别名 -
1-Octadecanamine,N,N-dioctadecyl-
N,N-dioctadecyloctadecan-1-amine
Tri-octadecylAmine
AC1L9YDR
AG-D-12890
CTK4A1580
Trioctadecylamin
Trioctadecyl-amin
Tri-octadecyl-amin
trioctadecyl-amine
Trioctadecylamine
Trioctadecylamine(7CI,8CI)
Tristearylamine
BUHHOHWMNZQMTA-UHFFFAOYSA-N
SCHEMBL482577
102-88-5
F94364
tri-octadecylamine
DTXSID60906978
tri-Octadecyl amine
AKOS024432761
物化性质
实验特性
LogP
20.07290
PSA
3.24
折射率
1.4927 (estimate)
沸点
619.36°C (rough estimate)
熔点
54°C
闪点
333°C
密度
0.9303 (estimate)
计算特性
精确分子量
773.87223
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
51
同位素质量
773.872
重原子数量
55
复杂度
543
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)
26.8
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
3.2Ų
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3.
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