1-Nitrosopyrrolidine - ≥99% , CAS No.930-55-2

CAS: 930-55-2 Cat. No.: N111145 Formula: C₄H₈N₂O Peso molecolare: 100.12 Numero EC: 213-218-8

GRADE & PURITY ≥99%

Synonyms

Q22138421 | NSC18797 | NSC-18797 | NSC 18797 | n-nitrosopyrrolidine-d8 | Pyrrole, tetrahydro-N-nitroso- | Tox21_202356 | N-Nitrosopyrrolidine (NPYR) | DTXSID8021062 | NCGC00249214-01 | SZ4J5WK201 | N-Nitrosopyrrolidin [German] | C19285 | N-Nitrosopyrrolid

Storage

Room temperature

Shipped In

Normal

Panoramica

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

Specifications

Sinonimi

Q22138421 | NSC18797 | NSC-18797 | NSC 18797 | n-nitrosopyrrolidine-d8 | Pyrrole, tetrahydro-N-nitroso- | Tox21_202356 | N-Nitrosopyrrolidine (NPYR) | DTXSID8021062 | NCGC00249214-01 | SZ4J5WK201 | N-Nitrosopyrrolidin [German] | C19285 | N-Nitrosopyrrolid

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488181873

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181873

Sorrisi canonici

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

Isomeri SMILES

C1CCN(C1)N=O

WGK Germania

3

RTECS

UY1575000

Numero UN

2810

Gruppo di imballaggio

I

Peso molecolare

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
    • Classe Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.489
• Punto di infiammabilità (°C): 182℃
• Punto di ebollizione (°C): 214°C
• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 930-55-2, the molecular formula is C4H8N2O, and the molecular weight is 100.12 g/mol. InChIKey WNYADZVDBIBLJJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.