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1-[Chloro(piperidin-1-ium-1-ylidene)methyl]piperidine

中文名称
——
中文别名
——
英文名称
1-[Chloro(piperidin-1-ium-1-ylidene)methyl]piperidine
英文别名
——
1-[Chloro(piperidin-1-ium-1-ylidene)methyl]piperidine化学式
CAS
——
化学式
C11H20ClN2+
mdl
——
分子量
215.74
InChiKey
MLQMLTYFICYIDQ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2.2
  • 重原子数:
    14
  • 可旋转键数:
    1
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.91
  • 拓扑面积:
    6.2
  • 氢给体数:
    0
  • 氢受体数:
    0

文献信息

  • [EN] ELECTRONIC DEVICE AND COMPOUND<br/>[FR] DISPOSITIF ÉLECTRONIQUE ET COMPOSÉ
    申请人:NOVALED GMBH
    公开号:WO2016001425A2
    公开(公告)日:2016-01-07
    The invention relates to an electronic device comprising a compound having Formula (1): ABX (1), wherein A is a structural moiety that consists of at least two atoms and comprises a conjugated system of delocalized electrons, each B is independently selected from an imine functional group (la), wherein R1, R2, R3, R4 are independently selected from C1-C30 alkyl, C2-C30 alkenyl, C2-C3 alkinyl, C3-C30 cycloalkyl, C6-C30 aryl, C2-C30 heteroaryl, C7-C30 arylalkyl, C3-C30 heteroarylalkyl, the wave line represents a covalent bond to the imine nitrogen atom, G is in each group (la) independently selected from a quarternary carbon atom and from a cyclopropenylidene structural moiety, x is an integer equal one or higher, preferably equal two or higher, and the lone electron pair of the imine nitrogen atom and/or the pi-electrons of the imine double bond of at least one group B is conjugated with the conjugated system of delocalized electrons comprised in the structural moiety A, with the proviso that two or more of the substituents R1, R2, R3, R4 may be connected to form a ring that may contain also unsaturation and, if any of the substituents R1, R2, R3, R4 comprises two or more carbon atoms, up to one third of the overall count of the carbon atoms in the substituent or in any ring formed by two connected substituents can be replaced with heteroatoms independently selected from O, S, N and B as well as to an electrically semiconducting material and a compound for use in the electronic device.
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