methanalazine | 503-27-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: methanalazine
• 英文别名: 2,3-Diaza-1,3-butadien；dimethylformamidazine；formaldehyde azine；formaldazine；bis-methylene-hydrazine；Dimethylenhydrazin；2,3-Diazabutadiene；N-(methylideneamino)methanimine
• CAS: 503-27-5
• 化学式: C₂H₄N₂
• mdl: MFCD00273379
• 分子量: 56.0672
• InChiKey: NBHLEUNJGNIKRR-UHFFFAOYSA-N

物化性质

• 熔点：
  -48 °C
• 沸点：
  65.4±23.0 °C(Predicted)
• 密度：
  0.78±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  4
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  methanalazine 以 neat (no solvent, gas phase) 为溶剂， 生成 methyleneaminyl
  参考文献：
  名称：

  Electronic Absorption Spectra of Methanal Azine and the Methyleniminyl Free Radical

  摘要：

  The methyleniminyl free radicals, H2CN, HDCN, and D2CN have been produced from flash photolysis of their stable dimers, the methanal azines H2CNNCH2, HDCNNCHD, and D2CNNCD2. The electronic absorption spectra of both radicals and parent substances are presented and discussed in terms of simple molecular orbital descriptions of the transitions. The photochemical processes are related to these transitions, and applications to the corresponding hydrocarbon diene, butadiene-1,3, are noted.

  DOI：

  10.1063/1.1669419
• 作为产物：
  描述：

  methyleneaminyl 在 (dimerization) 作用下， 生成 methanalazine
  参考文献：
  名称：

  Roberts,B.P.; Winter,J.N., Journal of the Chemical Society. Perkin transactions II, 1979, p. 1353 - 1361

  摘要：

  DOI：

文献信息

• Bock, Hans; Dammel, Ralph, Chemische Berichte, 1987, vol. 120, p. 1971 - 1986
  作者：Bock, Hans、Dammel, Ralph

  DOI：——

  日期：——
• Delalu, H.; Marchand, A., Journal de Chimie Physique et de Physico-Chimie Biologique, 1989, vol. 86, # 11/12, p. 2149 - 2162
  作者：Delalu, H.、Marchand, A.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D1, 20, page 257 - 257
  作者：

  DOI：——

  日期：——
• Delalu, Henri; Marchand, Alain, Journal de Chimie Physique et de Physico-Chimie Biologique, 1984, vol. 81, # 3, p. 149 - 156
  作者：Delalu, Henri、Marchand, Alain

  DOI：——

  日期：——
• Formaldazine photodissociation and the pair formation of H2CN radicals
  作者：Peter Felder、John A. Harrison、J. Robert Huber

  DOI：10.1021/j100158a012

  日期：1991.3

  The dissociation of formaldazine, H2CN-NCH2, following excitation at 193 nm has been studied by molecular beam photofragment translational spectroscopy. The only primary process, H2CN-NCH2 --> 2H2CN, takes place within a rotational period (almost-equal-to 10(-12) s) of the parent molecule and leads to the formation of H2CN radical pairs. The low translational energy release of merely 22% of the available energy indicates predissociation and furthermore implies that most of the nascent radicals possess enough internal energy to overcome the barrier E* of the reaction H2CN --> H + HCN. Based on the translational energy distribution P(E(T),H2CN) and the threshold energy E* = 30 kcal/mol, it is estimated that for 66% of the H2CN radical pairs both members decay and for 33% one partner is stable while the other one decays. Hence, after absorption of a photon approximately 80% of the H2CN radicals undergo a secondary dissociation step to HCN and H atoms.