1-氰基-3-异丙基胍 | 44830-55-9

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-氰基-3-异丙基胍
• 中文别名: 氯胍杂质A
• 英文名称: 3-cyano-1-isopropylguanidine
• 英文别名: isopropyldicyandiamide；N-cyano-N’-isopropylguanidine；1-Cyan-3-isopropyl-guanidin；1-i-propyl-3-cyanoguanidine；N-cyano-N'-isopropyl-guanidine；N-Cyan-N'-isopropyl-guanidin；Isopropyl-dicyandiamid；1-cyano-2-propan-2-ylguanidine
• CAS: 44830-55-9
• 化学式: C₅H₁₀N₄
• mdl: MFCD16251316
• 分子量: 126.161
• InChiKey: SRUGWSFEPMKUAK-UHFFFAOYSA-N

物化性质

• 熔点：
  87-89°C
• 溶解度：
  可溶于DMSO、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  74.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090
• WGK Germany：
  3
• 储存条件：
  | 冰箱 |

反应信息

• 作为反应物：
  描述：

  1-氰基-3-异丙基胍 在 盐酸 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Tari, Peter; Gajary, Antal, Organic Preparations and Procedures International, 1995, vol. 27, # 6, p. 697 - 700

  摘要：

  DOI：
• 作为产物：
  描述：

  cyanocyanamide;propan-2-amine 以30%的产率得到
  参考文献：
  名称：

  Jaeger L., Kretschmann M., Koehler H., L. Anorg. und Allg. Chem., 611 (1992) N 5, S 68-72

  摘要：

  DOI：

文献信息

• On the anomalous sorption behaviour of chlorhexidine with poly(2-hydroxyethyl methacrylate)
  作者：B S Plaut、B J Meakin、D J G Davies

  DOI：10.1111/j.2042-7158.1980.tb12989.x

  日期：2011.4.12

  General observations of solute: plastic interactions would suggest that the sorption of the cationic preservative, chlorhexidine, with poly (2-hydroxyethyl methacrylate) (PHEMA) is not only unexpected but also atypical in its properties. The polymer and preservative were investigated independently and the sorption of PHEMA with simple solutes, namely benzoic acid, benzocaine and aniline found to exhibit conventional properties. The single exception was the uptake of small amounts of benzocaine and aniline cations at acidic pH's. In order to elucidate the sorption characteristics of chlorhexidine a series of N1-(p-chlorophenyl)-N5-alkylbiguanide acetates were synthesized. The anomalous sorption behaviour observed between PHEMA and the bis biguanide, chlorhexidine, was also found to be characteristic of these monofunctional biguanide derivatives. The extent of the interactions increased with increasing alkyl chain length (R = methyl to n-octyl), this being interpreted in terms of an interaction binding mechanism via the biguanide functional group stabilized by van der Waal's forces between the alkyl chain and the polymer backbone. Atypical sorption behaviour was observed for simple organic cations, biguanide and N1-phenylbiguanide acetate with PHEMA, a possible inference being that this is a general characteristic of all cationic sorption with PHEMA.

  关于溶质：塑料相互作用的总体观察表明，阳离子防腐剂氯己定的吸附与聚（2-羟基乙基甲基丙烯酸酯）（PHEMA）的吸附不仅是出乎意料的，而且在其性质上也是非典型的。研究了聚合物和防腐剂，发现PHEMA与简单溶质（即苯甲酸、苯佐卡因和苯胺）的吸附表现出常规性质。唯一的例外是在酸性pH下，苯佐卡因和苯胺阳离子的小量吸收。为了阐明氯己定的吸附特性，合成了一系列N1-（对氯苯基）-N5-烷基双胍醋酸盐。在PHEMA与双胍，氯己定之间的异常吸附行为也发现是这些单功能双胍衍生物的特征。随着烷基链长（R =甲基至正辛基）的增加，相互作用的程度增加，这被解释为通过双胍功能团介导的相互作用结合机制，该机制通过烷基链与聚合物主链之间的范德华力得到稳定。简单有机阳离子、双胍和N1-苯基双胍醋酸盐与PHEMA的吸附表现出非典型的吸附行为，可能的推断是这是所有阳离子与PHEMA吸附的一般特征。

• 1,5-Disubstituted biguanides
  申请人：William H. Rorer, Inc.

  公开号：US03996232A1

  公开（公告）日：1976-12-07

  Novel 1-aryl and aralkyl 5-substituted biguanide compounds have been prepared. The compounds of this invention possess useful antiulcerogenic properties.

  1-芳基和芳烷基5-取代的双胍化合物已经制备出来。本发明的化合物具有有用的抗溃疡生成特性。
• Biguanide and dihydrotriazine derivatives
  申请人：——

  公开号：US20040116428A1

  公开（公告）日：2004-06-17

  Biguanide and dihydrotriazine derivatives, preferably substituted asymmetrical imidodicarbonimidic diamides derived from hydroxylamines, and compositions containing biguanide and dihydrotriazine derivatives are disclosed. In addition, methods of using the biguanide and dihydrotriazine derivatives, inter alia, as antimicrobial agents and methods of using the dihydrotriazine derivatives in biological assays are disclosed. Methods of making the biguanide and dihydrotriazine derivatives are also disclosed.

  本文披露了biguanide和二氢三嗪衍生物，最好是从羟胺衍生的取代不对称亚胺二碳酰胺二酰胺，以及含有biguanide和二氢三嗪衍生物的组合物。此外，本文还披露了使用biguanide和二氢三嗪衍生物的方法，包括作为抗微生物剂的方法，以及使用二氢三嗪衍生物进行生物测定的方法。还披露了制备biguanide和二氢三嗪衍生物的方法。
• 4,4'-Alkylenedipiperidine derivatives
  申请人：Imperial Chemical Industries PLC

  公开号：US04574123A1

  公开（公告）日：1986-03-04

  A 4,4'-alkylenebis[piperidine-1-(N-amidinoamidine)] derivative of the formula: ##STR1## or a tautomeric form thereof, wherein each of R.sup.1, R.sup.2, R.sup.3 and R.sup.4, which may be the same or different, is hydrogen or an alkyl, alkenyl or alkoxyalkyl radical of up to 20 carbon atoms; or R.sup.1, R.sup.2 and the nitrogen atom to which they are attached, or R.sup.3 and R.sup.4 and the nitrogen atom to which they are attached, which may be the same or different, are each a 1-azetidinyl, 1-pyrrolidinyl, piperidino, hexamethyleneimino, heptamethyleneimino, morpholino or 4-(1-8C alkanoyl)-1-piperazinyl radical each of which may bear 1-3C alkyl substituents; a 3-20C cycloalkyl radical; or an optionally substituted phenyl or phenylalkyl radical; provided that at least one of R.sup.1, R.sup.2, R.sup.3 and R.sup.4 is other than hydrogen; X is a direct bond or a 1-6C straight- or branched-chain alkylene radical which is linked to the 3- or 4-positions of the piperidine rings; and R.sup.5 and R.sup.6, which may be the same or different, are each hydrogen or a 1-8C alkyl radical; and the acid addition salts thereof, processes for their manufacture, and antibacterial and antifungal compositions and methods using said compounds.

  该化合物的名称为4,4'-烷基双[哌啶-1-(N-酰胺基)]衍生物，化学式为：##STR1## 或其互变异构体，其中R1、R2、R3和R4中的每一个，可以相同也可以不同，是氢或碳数不超过20的烷基、烯基或烷氧基；或者R1、R2和它们所连接的氮原子，或者R3和R4和它们所连接的氮原子，可以相同也可以不同，是每个都带有1-3C烷基取代的1-氮杂环丁基、1-吡咯烷基、哌啶基、己亚甲基亚胺、庚亚甲基亚胺、吗啉或4-(1-8C酰基)-1-哌嗪基基团；3-20C环烷基基团；或者是一个可选取代的苯基或苯基烷基基团；只要R1、R2、R3和R4中至少有一个不是氢；X是直接键或1-6C直链或支链烷基基团，它连接到哌啶环的3-或4-位置；R5和R6可以相同也可以不同，是氢或1-8C烷基基团；以及它们的酸加合物，制备它们的方法，以及使用这些化合物的抗菌和抗真菌组合物和方法。
• Anthraquinones as inhibitors of sulfide production from sulfate-reducing
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US05385842A1

  公开（公告）日：1995-01-31

  A process for inhibiting sulfide production by sulfate-reducing bacteria by contacting certain anthraquinones with the medium containing the sulfate-reducing bacteria is disclosed, as well as an automated screening test for such inhibition.

  本发明公开了一种通过将某些蒽醌与含有硫酸盐还原菌的培养基接触来抑制硫化物生成的过程，以及一种用于检测此种抑制作用的自动化筛选测试。