dimethyl-[15N]nitroso-amine | 29410-16-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: dimethyl-[15N]nitroso-amine
• 英文别名: (¹⁵N-Nitroso)dimethylamin；Dimethylnitrosamin；-Dimethylnitrosamin；Dimethyl-<15N>nitroso-amin；dimethyl-[¹⁵N]nitroso-amine
• CAS: 29410-16-0
• 化学式: C₂H₆N₂O
• 分子量: 75.0757
• InChiKey: UMFJAHHVKNCGLG-LBPDFUHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.23
• 重原子数：
  5.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.67
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  dimethyl-[15N]nitroso-amine 以 solid matrix 为溶剂， 生成 Oxo(~15~N)amino
  参考文献：
  名称：

  Photochemical formation of complexed HNO in low temperature matrices

  摘要：

  DOI：

  10.1016/0301-0104(82)88023-3

文献信息

• Photoelectron spectra and electronic structures of 2-alkoxy-1-tert-alkyldiazen-1-oxides and 1-alkoxy- 3,3 -dialkyltriazen-2 -oxides
  作者：Mikhail A. Kuznetsov、Yuliya P. Artsybasheva、Boris V. Ioffe、Paul Rademacher、Michael Woydt

  DOI：10.1016/0022-2860(91)80075-f

  日期：1991.12

  The electronic structures of 2-alkoxy-1-tert-alkyldiazen-1-oxides (1b-e) and 1-alkoxy-3,3-dialkyltriazen-2-oxides (2a-c) have been studied by photoelectron spectroscopy and semiempirical quantum chemical calculations. It was shown that n-pi conjugation in such "pi-electron over-crowded" compounds is rather uneffective. As a result, the presence of the alkoxy groups in 1 and the dialkylamino groups in the cross-conjugated system 2 lead only to minor perturbations of the n- and pi-type orbitals of the diazenoxide moiety. The HOMOs of 1 and 2 are pi-type orbitals localized essentially on the atoms of the diazenoxide fragment. The second (in 1) or third (in 2) highest occupied MOs are n-type orbitals localized on the oxide oxygen atom.