N-(Phenethyl)formamide - ≥97% , CAS No.23069-99-0

CAS: 23069-99-0 Cat. No.: I168819 Fórmula: C₉H₁₁NO Peso molecular: 149.19 Número CE: 663-749-8

GRADE & PURITY ≥97%

Synonyms

(2-Phenylethyl)formamide | E85450 | N-Formylphenylethylamine | phenethylformamide | (2-Phenethyl)formamide | Formamide, N-(2-phenylethyl)- | N-(2-Phenylethyl)formamide | NSC18966 | NSC-18966 | Q27460001 | N-formyl-N-(2-phenylethyl) amin | N-(2-Phenethyl)f

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(2-Phenylethyl)formamide | E85450 | N-Formylphenylethylamine | phenethylformamide | (2-Phenethyl)formamide | Formamide, N-(2-phenylethyl)- | N-(2-Phenylethyl)formamide | NSC18966 | NSC-18966 | Q27460001 | N-formyl-N-(2-phenylethyl) amin | N-(2-Phenethyl)f

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504757222

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757222

Sorrisos canónicos

C1=CC=C(C=C1)CCNC=O

IUPAC Name

N-(2-phenylethyl)formamide

InChIKey

NOOOMJZHMKSKBF-UHFFFAOYSA-N

INCHI

1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)

SMILES isoméricas

C1=CC=C(C=C1)CCNC=O

WGK Alemanha

3

Peso molecular

149.19

Reaxy-Rn

1238539

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1238539&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: Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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: 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): >230 °F
• Ponto de inflamação (°C): >110 °C
• Peso molecular: 149.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.084 Da
• Monoisotopic Mass: 149.084 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 108.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 23069-99-0, the molecular formula is C9H11NO, and the molecular weight is 149.19 g/mol. InChIKey NOOOMJZHMKSKBF-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.