1-Nitrosopyrrolidine - analytical standard , CAS No.930-55-2

CAS: 930-55-2 Cat. No.: N114388 Peso molecular: 100.12 Número EC: 213-218-8

GRADE & PURITY Analytical standard

Synonyms

1-Nitrosopyrrolidine|N-NITROSOPYRROLIDINE|930-55-2|Pyrrolidine, 1-nitroso-|NPYR|No-pyr|Nitrosopyrrolidine|N-Nitrosopyrrolidin|1-Pyrrolidinamine, N-nitroso-|N-Nitroso-pyrrolidine|1-nitroso-Pyrrolidine|n-nitrosopyrrolidine-d8|1-Nitrosopyrrolidine-d4|SZ4J5WK

Storage

Room temperature

Shipped In

Normal

Descripción general

Induces hepatocellular carcinomas and lung adenomas in mice. Forms DNA adducts that primarily result in A:T to G:C mutations

Specifications

Sinónimos

1-Nitrosopyrrolidine | N-NITROSOPYRROLIDINE | 930-55-2 | Pyrrolidine, 1-nitroso- | NPYR | No-pyr | Nitrosopyrrolidine | N-Nitrosopyrrolidin | 1-Pyrrolidinamine, N-nitroso- | N-Nitroso-pyrrolidine | 1-nitroso-Pyrrolidine | n-nitrosopyrrolidine-d8 | 1-Nitrosopyrrolidine-d4 | SZ4J5WK

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: C1CCN(C1)N=O
• IUPAC Name: 1-nitrosopyrrolidine
• InChIKey: WNYADZVDBIBLJJ-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2
• Isómeros SMILES: C1CCN(C1)N=O
• WGK Alemania: 3
• RTECS: UY1575000
• Número ONU: 2810
• Grupo de embalaje: I
• Peso molecular: 100.12
• Reaxy-Rn: 107615
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107615&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Organic N-nitroso compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Organic n-nitroso compound - Organic nitroso compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: pyrrolidines

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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.489
• Punto de inflamación (°C): 182℃
• Punto de ebullición (°C): 214°C
• Peso molecular: 100.120 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 100.064 Da
• Monoisotopic Mass: 100.064 Da
• Topological Polar Surface Area: 32.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 68.100
• 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

Referencias

1. Qi Li, Ning Zhao, Minghao Jiang, Mali Wang, Jingxu Zhang, Haiqun Cao, Min Liao.  (2023)  Metamifop resistance in Echinochloa glabrescens via glutathione S-transferases-involved enhanced metabolism.  PEST MANAGEMENT SCIENCE,  79  (8): (2725-2736).  [PMID:36914944] [10.1002/ps.7453]

2. Guangtao Zhu, Hao Wang, Haitao Gao, Ying Liu, Jun Li, Zhike Feng, Liyao Dong.  (2023)  Multiple Resistance to Three Modes of Action of Herbicides in a Single Italian Ryegrass (Lolium multiflorum L.) Population in China.  Agronomy-Basel,  13  (1): (216).  [PMID:] [10.3390/agronomy13010216]

3. Zhuwu Jiang, Yuchang Wang, Hai Yu, Ning Yao, Jyunhong Shen, Yan Li, HongYu Zhang, Xue Bai.  (2022)  Efficient degradation of N-nitrosopyrrolidine using CoFe-LDH/AC particle electrode via heterogeneous Fenton-like reaction.  CHEMOSPHERE,      [PMID:36464019] [10.1016/j.chemosphere.2022.137446]

4. 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]

5. Haiyan Wang, Jing Zhang, Yong Zhang.  (2025)  Effects of mono-substituents on the polarity-sensitive fluorescent probe properties of pyrene.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:40107135] [10.1016/j.saa.2025.126049]

6. Zhenjie Zheng, Jingxuan Wang, Mengqi Ma, Yunpeng Xu, Da Huang, Jian Wang, Cuiying Lin, Zhenyu Lin, Fang Luo.  (2025)  Nanoconfined-structured Ru@COF-LZU1 microenvironment facilitated homogeneous electrochemiluminescence biosensor for ultrasensitive N-nitrosodimethylamine detection.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2025.138456]