(R)-(-)-2-Piperidino-1,1,2-triphenylethanol - ≥97% , CAS No.213995-12-1

CAS: 213995-12-1 Cat. No.: I168576 Peso molecular: 357.49 Número EC: 622-610-1

GRADE & PURITY ≥97%

Synonyms

(R)-2-PIPERIDINYL-1,1,2-TRIPHENYLETHANOL | (R)-(-)-2-Piperidino-1,1,2-triphenylethanol | AKOS015913426 | (2R)-1,1,2-triphenyl-2-piperidin-1-ylethanol | SCHEMBL480997 | (R)-(-)-2-Piperidino-1,1,2-triphenylethanol, 97% | (r)-2-piperidino-1,1,2-triphenyletha

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(R)-2-PIPERIDINYL-1, 1, 2-TRIPHENYLETHANOL | (R)-(-)-2-Piperidino-1, 1, 2-triphenylethanol | AKOS015913426 | (2R)-1, 1, 2-triphenyl-2-piperidin-1-ylethanol | SCHEMBL480997 | (R)-(-)-2-Piperidino-1, 1, 2-triphenylethanol, 97% | (r)-2-piperidino-1, 1, 2-triphenyletha

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CCN(CC1)C(C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
• IUPAC Name: (2R)-1,1,2-triphenyl-2-piperidin-1-ylethanol
• InChIKey: BCFJVZGZDXPFBN-XMMPIXPASA-N
• INCHI: 1S/C25H27NO/c27-25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24(21-13-5-1-6-14-21)26-19-11-4-12-20-26/h1-3,5-10,13-18,24,27H,4,11-12,19-20H2/t24-/m1/s1
• Isómeros SMILES: C1CCN(CC1)[C@H](C2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
• WGK Alemania: 3
• Peso molecular: 357.49
• Reaxy-Rn: 319641
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=319641&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes Aralkylamines Piperidines Tertiary alcohols Trialkylamines 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Aromatic alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Propiedades químicas y físicas

• Peso molecular: 357.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 357.209 Da
• Monoisotopic Mass: 357.209 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 408.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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