N-Nitrosomorpholine - analytical standard , CAS No.59-89-2

CAS: 59-89-2 Cat. No.: N114390 分子式: C₄H₈N₂O₂ 分子量: 116.12 EC番号: 627-564-6

GRADE & PURITY Analytical standard

Synonyms

SCHEMBL1578515 | DTXCID001056 | 4-Nitrosomorpholine 1.0 mg/ml in Methanol | BRN 0112139 | STL301087 | 4-Nitrosomorpholine | 4-Nitroso-morpholine | EN300-7323775 | NMOR | N0466 | Q22138414 | CHEBI:76326 | T72681 | 3L25FO7FN7 | DTXSID4021056 | 1219805-76-1

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

SCHEMBL1578515 | DTXCID001056 | 4-Nitrosomorpholine 1.0 mg/ml in Methanol | BRN 0112139 | STL301087 | 4-Nitrosomorpholine | 4-Nitroso-morpholine | EN300-7323775 | NMOR | N0466 | Q22138414 | CHEBI:76326 | T72681 | 3L25FO7FN7 | DTXSID4021056 | 1219805-76-1

仕様と純度

analytical standard

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

アクションタイプ

INHIBITOR

名前と識別子

• パブケム・シド: 528766037
• カノニカル・スマイル: C1COCCN1N=O
• IUPAC Name: 4-nitrosomorpholine
• InChIKey: ZKXDGKXYMTYWTB-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2
• 異性体SMILES: C1COCCN1N=O
• WGKドイツ: 2
• UN番号: 2810
• 包装グループ: I
• 分子量: 116.12
• Reaxy-Rn: 112139
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112139&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Organic N-nitroso compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Organic n-nitroso compound - Organic nitroso compound - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• External Descriptors: nitrosamine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 29 °C
• 沸点（°C）: 225 °C
• 融点（°C）: 29 °C
• 分子量: 116.120 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 116.059 Da
• Monoisotopic Mass: 116.059 Da
• Topological Polar Surface Area: 41.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. Zhiqin Ding, Mengdie Cai, Weimin Gan, Ping Yuan, Lijun Wei, Xianglei Cheng.  (2022)  Studies on a novel method for the determination of nitrosamines in food by HPLC-UV-FLD coupling with terbium-doped carbon dots.  FOOD CHEMISTRY,      [PMID:] [10.1016/j.foodchem.2022.134894]

2. He Ying, Ding Haotian, Xia Xingya, Qi Wenyi, Wang Huaisong, Liu Wenyuan, Zheng Feng.  (2021)  GFP-fused yeast cells as whole-cell biosensors for genotoxicity evaluation of nitrosamines.  APPLIED MICROBIOLOGY AND BIOTECHNOLOGY,  105  (13): (5607-5616).  [PMID:34228183] [10.1007/s00253-021-11426-4]