Benzamide oxime - ≥98% , CAS No.613-92-3

CAS: 613-92-3 Cat. No.: B139085 Fórmula: C₇H₈N₂O Peso molecular: 136.15 Beilstein Registry Number: 9(3)1308 Número CE: 210-361-8

GRADE & PURITY ≥98%

Synonyms

AKOS016846073 | N'-Hydroxybenzimidamide | STL373381 | AKOS000310179 | MXOQNVMDKHLYCZ-UHFFFAOYSA- | NSC13999 | NSC-13999 | Benzamide oxime | STK082774 | Benzamidoxime | InChI=1/C7H8N2O/c8-7(9-10)6-4-2-1-3-5-6/h1-5,10H,(H2,8,9) | DTXSID20884985 | CHEBI:8335

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS016846073 | N'-Hydroxybenzimidamide | STL373381 | AKOS000310179 | MXOQNVMDKHLYCZ-UHFFFAOYSA- | NSC13999 | NSC-13999 | Benzamide oxime | STK082774 | Benzamidoxime | InChI=1/C7H8N2O/c8-7(9-10)6-4-2-1-3-5-6/h1-5,10H,(H2,8,9) | DTXSID20884985 | CHEBI:8335

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488196224

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196224

Sorrisos canónicos

C1=CC=C(C=C1)C(=NO)N

IUPAC Name

N'-hydroxybenzenecarboximidamide

InChIKey

MXOQNVMDKHLYCZ-UHFFFAOYSA-N

INCHI

1S/C7H8N2O/c8-7(9-10)6-4-2-1-3-5-6/h1-5,10H,(H2,8,9)

SMILES isoméricas

C1=CC=C(C=C1)/C(=N/O)/N

WGK Alemanha

3

RTECS

CV6920000

Peso molecular

136.15

Beilstein

9(3)1308

Reaxy-Rn

606795

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606795&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Amidines Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: amidoxime

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

Alvos associados (humanos)

Huh-7 (12904 Activities)

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

MTARC1 Tbio Mitochondrial amidoxime-reducing component 1 (51 Activities)

Discover Target: MTARC1

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

Alvos associados (não humanos)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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Sus scrofa (849 Activities)

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Rattus norvegicus (775804 Activities)

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Hepatitis C virus (23859 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 77 °C
• Peso molecular: 136.150 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.064 Da
• Monoisotopic Mass: 136.064 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 128.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% 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 613-92-3, the molecular formula is C7H8N2O, and the molecular weight is 136.15 g/mol. InChIKey MXOQNVMDKHLYCZ-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.