(R)-(+)-4-Methylmandelonitrile - ≥97% , CAS No.10017-04-6

CAS: 10017-04-6 Cat. No.: R468519 Peso molecular: 147.17 Número EC: 623-367-4 PubChem CID: 9497660

GRADE & PURITY ≥97%

Synonyms

(R)-(+)-4-Methylmandelonitrile | Benzeneacetonitrile, alpha-hydroxy-4-methyl-, (alphaR)- | (2R)-2-HYDROXY-2-(4-METHYLPHENYL)ACETONITRILE | (R)-(+)-4-Methylmandelonitrile, 97% | DTXSID20429456 | AKOS024386624 | (R)-2-Hydroxy-2-(p-tolyl)acetonitrile | (R)-2

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Description

Useful intermediate in the preparation of optically active α-hydroxy carboxylic acids, α-hydroxy aldehydes, α-hydroxy ketones, and 2-amino alcohols.

Specifications

Sinónimos

(R)-(+)-4-Methylmandelonitrile | Benzeneacetonitrile, alpha-hydroxy-4-methyl-, (alphaR)- | (2R)-2-HYDROXY-2-(4-METHYLPHENYL)ACETONITRILE | (R)-(+)-4-Methylmandelonitrile, 97% | DTXSID20429456 | AKOS024386624 | (R)-2-Hydroxy-2-(p-tolyl)acetonitrile | (R)-2

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)C(C#N)O
• IUPAC Name: (2R)-2-hydroxy-2-(4-methylphenyl)acetonitrile
• InChIKey: KKGXJLAWLSJRGK-VIFPVBQESA-N
• INCHI: 1S/C9H9NO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9,11H,1H3/t9-/m0/s1
• Isómeros SMILES: CC1=CC=C(C=C1)[C@H](C#N)O
• PubChem CID: 9497660
• Peso molecular: 147.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Secondary alcohols Cyanohydrins Alpha-hydroxynitriles Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Alpha-hydroxynitrile - Secondary alcohol - Cyanohydrin - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
• 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: 147.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 44.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 162.000
• 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