[Co(N,N-bis(carboxymethyl)-β-alaninato)(H2O)2]*H2O | 200356-44-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [Co(N,N-bis(carboxymethyl)-β-alaninato)(H2O)2]*H2O
• 英文别名: [Co(apda)(H2O)2]*H2O
• CAS: 200356-44-1
• 化学式: C₇H₁₂CoNO₈*H₂O
• 分子量: 315.183
• InChiKey: AYMRPQQDQGCXPZ-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  二乙烯三胺 、 [Co(N,N-bis(carboxymethyl)-β-alaninato)(H2O)2]*H2O 在 HClO₄ 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Obodovskaya, A. E.; Shkol'nikova, L. M.; Poznyak, A. L., Russian Journal of Inorganic Chemistry, 1992, vol. 37, p. 295 - 299

  摘要：

  DOI：
• 作为产物：
  描述：

  cobalt(II) chloride hexahydrate 、 N,N-二(羧甲基)-β-氨基丙酸 在 KHCO₃ 、 H₂O₂ 、 HClO₄ 作用下， 以 水 为溶剂， 以44%的产率得到[Co(N,N-bis(carboxymethyl)-β-alaninato)(H2O)2]*H2O
  参考文献：
  名称：

  Identification of different Co(III) apda complexes: Crystallisation of [Co(H2O)6]·[Co(Hapda)2]2·H2O

  摘要：

  [Co(H2O)(6)] (.) [Co(Hapda)(2)](2) (.) H2O (apda = NN-bis(carboxymethyl)-beta-alaninato(3-) ion) crystallises in the triclinic, P1, space group. The Hapda ligand acts as a tridendate ligand with the longer, pronated P-alaninato arms not bonded. The two cobalt(III) units are not similar in terms of bonding distances, distortion around the metal centre and strain of the glycinato rings. Unit A has a very slightly distorted octahedron around the cobalt(Ill) centre with the O-Co-O, O-Co-N and N-Co-N bonding angles ranging between 87.84(9)degrees and 92.16(9)degrees. The O-Co-O, O-Co-N and N-Co-N bonding angles in unit B vary between 85.07(9)degrees and 94.93(9)degrees, indicating more distortion. The Co-nitrogen bonding distances vary between 1.973(2) and 1.976(2) angstrom, while the Co-oxygen distances vary between 1.8794(19) and 1.9005(19) angstrom for both A and B. The pK(11) values of the complex were determined as 2.6(1) and 2.8(1), respectively. The effective use of H-1 NMR to determine the positioning of the chelate rings of apda is illustrated with a comparative study of the title complex with [Co(apda)(H2O)(2)], where apda acts as a tetradentate ligand. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.05.014