1-氰基-2-癸基胍 | 60852-92-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-氰基-2-癸基胍
• 英文名称: 1-n-decyl-3-cyanoguanidine
• 英文别名: N1-decyl-N'-cyanoguanidine；N-Cyano-N''-decylguanidine；1-cyano-2-decylguanidine
• CAS: 60852-92-8
• 化学式: C₁₂H₂₄N₄
• 分子量: 224.349
• InChiKey: RHGYQBILTQXYKW-UHFFFAOYSA-N

物化性质

• 沸点：
  303.0±25.0 °C(Predicted)
• 密度：
  0.98±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  16
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  74.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-氰基-2-癸基胍 在 盐酸 、 硫酸 作用下， 以 乙醇 、 水 、 xylene 为溶剂， 反应 32.0h， 生成 1,6-dihydro-6,6-dimethyl-N4-decyl-N2-methyl-N2-propyl-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  EP2332925

  摘要：

  公开号：
• 作为产物：
  描述：

  1-癸基胺盐酸盐 、 sodium dicyanamide 以 异丙醇 为溶剂， 生成 1-氰基-2-癸基胍
  参考文献：
  名称：

  Synthesis of Novel 4,6-Di(substituted)amino-1,2-dihydro-1,3,5-triazine Derivatives as Topical Antiseptic Agents

  摘要：

  A series of novel 4,6-di(substituted)amino-1,2-dihydro-1,3,5-triazine derivatives designed to have ClogP of 5.1-7.5 was synthesized and evaluated for their antiseptic properties by MIC and MBC tests against Gram-positive and Gram-negative bacteria, including MRSA, VRE, and P. aeruginosa. Among these compounds, 4-alkyl-6-aralkyl derivatives having ClogP of 6.6-7.1 and 4-alkyl-6-aryl or 4,6-dialkyl derivatives with ClogP of 6.0-6.4 showed pronounced antibacterial activities in both tests.

  DOI：

  10.1021/jm8014712

文献信息

• NOVEL DIHYDROTRIAZINE DERIVATIVE
  申请人：Maeda Shirou

  公开号：US20110207926A1

  公开（公告）日：2011-08-25

  A compound represented by formula (1), a tautomer thereof, or a salt of the compound or tautomer, which is useful as a bactericide/disinfectant. In the formula, R 1 represents a hydrogen atom, an optionally substituted alkyl group or the like, R 2 represents a hydrogen atom or an optionally substituted alkyl group, or alternatively R 1 and R 2 may combine together with an adjacent nitrogen atom to form an optionally substituted nitrogen-containing heterocyclic group; R 4 represents a hydrogen atom or an optionally substituted alkyl group; R 3 represents an optionally substituted alkyl group; and R 5 and R 6 each represents a hydrogen atom or a methyl group, excluding a compound wherein both R 2 and R 4 represent a hydrogen atom and a compound wherein both R 1 and R 4 represent a hydrogen atom are excluded.

  化合物以式（1）表示，其互变异构体或盐，用作杀菌剂/消毒剂。在公式中，R1表示氢原子，可选取代的烷基或类似物，R2表示氢原子或可选取代的烷基，或者R1和R2可以与相邻的氮原子结合形成可选取代的含氮杂环基团；R4表示氢原子或可选取代的烷基；R3表示可选取代的烷基；R5和R6各表示氢原子或甲基，但排除R2和R4均表示氢原子的化合物和R1和R4均表示氢原子的化合物。
• Aminobiguanides and the use thereof to disinfect contact lenses and preserve pharmaceutical compositions
  申请人：——

  公开号：US20040063791A1

  公开（公告）日：2004-04-01

  Aminobiguanides and the use of same as antimicrobial agents in pharmaceutical compositions are disclosed. The aminobiguanides are useful in the preservation of pharmaceutical compositions, particularly ophthalmic pharmaceutical compositions and compositions for treating contact lenses. The compounds are especially useful for disinfecting contact lenses.

  本发明公开了氨基双胍及其在药物组合物中作为抗菌剂的用途。氨基双胍类化合物可用于药物组合物的防腐，特别是眼科药物组合物和隐形眼镜处理组合物。这些化合物尤其适用于隐形眼镜的消毒。
• Biguanide derivatives, manufacturing method thereof, and disinfectants containing the derivatives
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0507317B1

  公开（公告）日：1997-01-15
• AMINOBIGUANIDES AND THE USE THEREOF TO DISINFECT CONTACT LENSES AND PRESERVE PHARMACEUTICAL COMPOSITIONS
  申请人：Alcon Laboratories, Inc.

  公开号：EP1042007A2

  公开（公告）日：2000-10-11
• US3988370A
  申请人：——

  公开号：US3988370A

  公开（公告）日：1976-10-26