N-(2-Hydroxy-2,2-diphenylethyl)benzamide , CAS No.55275-59-7

CAS: 55275-59-7 Cat. No.: N1032226 Formula: C₂₁H₁₉NO₂ Peso molecolare: 317.39 PubChem CID: 12261124

Storage

Room temperature

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

Sorrisi canonici

C1=CC=C(C=C1)C(=O)NCC(C2=CC=CC=C2)(C3=CC=CC=C3)O

IUPAC Name

N-(2-hydroxy-2,2-diphenylethyl)benzamide

InChIKey

LRBABYJJEZERLC-UHFFFAOYSA-N

INCHI

1S/C21H19NO2/c23-20(17-10-4-1-5-11-17)22-16-21(24,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,24H,16H2,(H,22,23)

Isomeri SMILES

C1=CC=C(C=C1)C(=O)NCC(C2=CC=CC=C2)(C3=CC=CC=C3)O

PubChem CID

12261124

Peso molecolare

317.39

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Benzamides Benzoyl derivatives Tertiary alcohols Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Benzamide - Benzoic acid or derivatives - Benzoyl - Tertiary alcohol - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alcohol - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 317.400 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 317.142 Da
• Monoisotopic Mass: 317.142 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 373.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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

The CAS Number is 55275-59-7, the molecular formula is C21H19NO2, and the molecular weight is 317.39 g/mol. InChIKey LRBABYJJEZERLC-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.