Tri015 - ≥95% , CAS No.361441-95-4

CAS: 361441-95-4 Cat. No.: T970474 Summenformel: C₂₀H₂₆N₂O Molekulargewicht: 310.400

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1C2CC3CC1CC(C2)(C3)[C@@H](C#N)N[C@@H](CO)C4=CC=CC=C4
• IUPAC Name: (2S)-2-(1-adamantyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile
• InChIKey: BRLUMYAYSUWXEL-HESWJOIASA-N
• INCHI: 1S/C20H26N2O/c21-12-19(22-18(13-23)17-4-2-1-3-5-17)20-9-14-6-15(10-20)8-16(7-14)11-20/h1-5,14-16,18-19,22-23H,6-11,13H2/t14?,15?,16?,18-,19+,20?/m0/s1
• Molekulargewicht: 310.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Benzene and substituted derivatives Alpha-aminonitriles 1,2-aminoalcohols Dialkylamines Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Aralkylamine - Monocyclic benzene moiety - Benzenoid - 1,2-aminoalcohol - Alpha-aminonitrile - Secondary aliphatic amine - Secondary amine - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Cyanide - Alcohol - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 310.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 310.205 Da
• Monoisotopic Mass: 310.205 Da
• Topological Polar Surface Area: 56.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 432.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 361441-95-4, the molecular formula is C20H26N2O, and the molecular weight is 310.400 g/mol. InChIKey BRLUMYAYSUWXEL-HESWJOIASA-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.