N-Nitroso-N-methylurea - Moligand™, ≥98%, contain Sulfuric acid as stabilizer , CAS No.684-93-5

CAS: 684-93-5 Cat. No.: N136701 Molecular Weight: 103.08 EC Number: 211-678-4

GRADE & PURITY Moligand™, ≥98%, contain Sulfuric acid as stabilizer

Synonyms

Methylnitrosourea | 1-Methyl-1-nitrosourea | N-Methyl-N-nitrosourea

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Methylnitrosourea | 1-Methyl-1-nitrosourea | N-Methyl-N-nitrosourea

Specifications & Purity

Moligand™, ≥98%, contain Sulfuric acid as stabilizer

Biochemical and Physiological Mechanisms

DNA alkylating agent that is carcinogenic in many animal species. Although it can induce benign and malignant tumors in most organs, MNU is most often used to model mammary tumor initiation and progression.

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN(C(=O)N)N=O
• IUPAC Name: 1-methyl-1-nitrosourea
• InChIKey: ZRKWMRDKSOPRRS-UHFFFAOYSA-N
• INCHI: 1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)
• Isomeric SMILES: CN(C(=O)N)N=O
• WGK Germany: 1
• UN Number: 2811
• Packing Group: I
• Molecular Weight: 103.08
• Reaxy-Rn: 1756040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756040&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Ureas
        • Level5 Nitrosoureas
          • Level6 N-methylnitrosoureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Nitrosoureas
• Direct Parent: N-methylnitrosoureas
• Alternative Parents: Semicarbazides Nitrosamides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-methylnitrosourea - Nitrosamide - Semicarbazide - Organic n-nitroso compound - Organic nitroso compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as n-methylnitrosoureas. These are organonitrogen compounds with the general formula H3CN(N=O)R(N)=O (R = any atom).
• External Descriptors: N-nitrosoureas

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light & Heat sensitive
• Molecular Weight: 103.080 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 103.038 Da
• Monoisotopic Mass: 103.038 Da
• Topological Polar Surface Area: 75.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 90.900
• 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

References

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