甲胺-d5氯化氘 | 14779-55-6

• 物质功能分类: 化学试剂 - 氘代试剂
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 甲胺-d5氯化氘
• 中文别名: 盐酸甲胺-D5
• 英文名称: pentadeuterio-methylamine; trideuterio-trideuteriomethyl-ammonium chloride
• 英文别名: Pentadeuterio-methylamin; Trideuterio-trideuteriomethyl-ammonium-chlorid；(2H)chlorane;N,N,1,1,1-pentadeuteriomethanamine
• CAS: 14779-55-6
• 化学式: CH₆N*Cl
• 分子量: 73.4707
• InChiKey: NQMRYBIKMRVZLB-MIOFBDNISA-N

物化性质

• 熔点：
  232-234 °C(lit.)
• 稳定性/保质期：

  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -0.0
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38

反应信息

• 作为反应物：
  描述：

  甲胺-d5氯化氘 、 四氯化锡 以 重水 为溶剂， 生成 methylammonium-d6 hexachlorostannate(IV)
  参考文献：
  名称：

  Critical phenomenon in a molecular-ionic crystal (CD3ND3)2 [SnCl6]

  摘要：

  The phase transition in (CD3ND3)(2) [SnCl6], for which the fluctuation of the order parameter is exceptionally strong among molecular systems, was studied by high-resolution neutron diffraction. The transition was accompanied by contraction of the a and expansion of the c axes as T-c = 154K was traversed from above. The square root of the c expansion was proportional to the occupancy of one of the deuterium sites which is the order parameter of the transition. The mechanism of this coupling is discussed.

  DOI：

  10.1016/0921-4526(95)00174-8

文献信息

• Static and dynamic structures of CD3ND3GeCl3 studied by TOF high resolution neutron powder diffraction and solid state NMR
  作者：Koji Yamada、Keiko Mikawa、Tsutomu Okuda、Kevin S. Knight

  DOI：10.1039/b201611g

  日期：2002.5.13

  CD3ND3GeCl3 has been studied by high-resolution neutron powder diffraction and 2H NMR investigation over a wide temperature range to understand the static and dynamic structures and successive phase transitions. A monoclinic crystal of CD3ND3GeCl3 (Phase IV, space group P21/n) undergoes a phase transition to an orthorhombic system (Phase III, Pnma) at 203 K where the symmetry of the anionic sublattice and the geometry of the N–D⋯Cl hydrogen bonds change. Furthermore, Phase III undergoes a phase transition to a trigonal system (Phase II, R3m) at 349 K where an orientational disorder of the cation is excited. Our 35Cl NQR measurement also suggested an onset of the reorientation of the pyramidal GeCl3− anion just below the phase transition to Phase II with an activation energy Ea = 60.5 kJ mol−1. However, a transition from Phase II to a cubic phase (Phase I, Pm3m), which was reported to be 396 K on the CH3NH3GeCl3, was not complete by 475 K. The Rietveld analysis at 475 K suggested that only 7% of the sample transformed to a cubic perovskite structure in which not only orientational disorder of the cation but also positional disorder of the chloride ion were confirmed, similar to CH3NH3GeCl3.

  CD3ND3GeCl3 已在较宽的温度范围内通过高分辨率中子粉末衍射和 2H NMR 研究进行了研究，以了解其静态和动态结构以及连续的相变。 CD3ND3GeCl3 的单斜晶体（第四相，空间群 P21/n）在 203 K 时经历相变到斜方晶系（第三相，Pnma），其中阴离子亚晶格的对称性和 N–D⋯Cl 氢的几何形状债券发生变化。此外，第三相在 349 K 时经历相变到三角晶系（第二相，R3m），其中阳离子的取向紊乱被激发。我们的 35Cl NQR 测量还表明，锥体 GeCl3− 阴离子在相变至 II 相的下方开始重新定向，活化能为 Ea = 60.5 kJ mol−1。然而，从第二相到立方相（第一相，Pm3m）的转变（据报道在 CH3NH3GeCl3 上为 396 K）在 475 K 时尚未完成。475 K 下的 Rietveld 分析表明只有 7% 的样品转变为立方钙钛矿结构，其中不仅确认了阳离子的取向无序，而且确认了氯离子的位置无序，类似于CH3NH3GeCl3。
• [EN] PIPERIDINE INHIBITORS OF JANUS KINASE 3<br/>[FR] INHIBITEURS PIPÉRIDINIQUES DE LA JANUS KINASE 3
  申请人：AUSPEX PHARMACEUTICALS LLC

  公开号：WO2010123919A3

  公开（公告）日：2011-03-03
• Critical phenomenon in a molecular-ionic crystal (CD3ND3)2 [SnCl6]
  作者：O. Yamamuro、T. Matsuo、H. Suga、W.I.F. David、R.M. Ibberson、A.J. Leadbetter

  DOI：10.1016/0921-4526(95)00174-8

  日期：1995.8

  The phase transition in (CD3ND3)(2) [SnCl6], for which the fluctuation of the order parameter is exceptionally strong among molecular systems, was studied by high-resolution neutron diffraction. The transition was accompanied by contraction of the a and expansion of the c axes as T-c = 154K was traversed from above. The square root of the c expansion was proportional to the occupancy of one of the deuterium sites which is the order parameter of the transition. The mechanism of this coupling is discussed.