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

CAS: 930-55-2 Cat. No.: N111145 Summenformel: C₄H₈N₂O Molekulargewicht: 100.12 EG-Nummer: 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

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488181873

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

C1CCN(C1)N=O

WGK Deutschland

3

RTECS

UY1575000

UN-Nummer

2810

Verpackungsgruppe

I

Molekulargewicht

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
    • Klasse Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.489
• Flammpunkt (°C): 182℃
• Siedepunkt (°C): 214°C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.