CINNAMALDEHYDE OXIME , CAS No.13372-81-1

CAS: 13372-81-1 Cat. No.: C167006 Fórmula: C₉H₉NO Peso molecular: 147.178 Número CE: 236-449-6

Synonyms

(NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine | 3-Phenyl-2-propenal oxime | 3-Phenylacrylaldehyde oxime | NSC77420 | NSC-77420 | 2-Propenal, 3-phenyl-, oxime | RUQDOYIAKHIMAN-DAAQNPAKSA-N | Cinnamaldehyde oxime | SCHEMBL6124740 | Cinnamaldoxime, (E)+

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine | 3-Phenyl-2-propenal oxime | 3-Phenylacrylaldehyde oxime | NSC77420 | NSC-77420 | 2-Propenal, 3-phenyl-, oxime | RUQDOYIAKHIMAN-DAAQNPAKSA-N | Cinnamaldehyde oxime | SCHEMBL6124740 | Cinnamaldoxime, (E)+

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

Sorrisos canónicos

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

IUPAC Name

(NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine

InChIKey

RUQDOYIAKHIMAN-DAAQNPAKSA-N

INCHI

1S/C9H9NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-8,11H/b7-4+,10-8+

SMILES isoméricas

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

Peso molecular

147.178

Reaxy-Rn

2040581

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2040581&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Aldoximes Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Aldoxime - Oxime - 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 styrenes. These are organic compounds containing an ethenylbenzene moiety.
• External Descriptors: Not available

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 (não humanos)

Candida albicans (78123 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 147.170 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 146.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

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 13372-81-1, the molecular formula is C9H9NO, and the molecular weight is 147.178 g/mol. InChIKey RUQDOYIAKHIMAN-DAAQNPAKSA-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.