(+)-Bis[(R)-1-phenylethyl]amine - ≥99% , CAS No.23294-41-9

CAS: 23294-41-9 Cat. No.: B474628 Formula: [C₆H₅CH(CH₃)]₂NH Peso molecolare: 225.33 Beilstein Registry Number: 3590930 Numero EC: 607-220-1

GRADE & PURITY ≥99%

Synonyms

72S7Q417U4 | EN300-100621 | (R,R)-Bis(alpha-methylbenzyl)amine | (R,R)-BIS(.ALPHA.-METHYLBENZYL)AMINE | MFCD00243088 | Bis[(R)-1-phenylethyl]amine | (+)-Bis[(R)-1-phenylethyl]amine, ChiPros? | AMY25620 | SCHEMBL1200137 | BENZENEMETHANAMINE, .ALPHA.-METHYL

Storage

Room temperature

Panoramica

Description

(+)-Bis[(R)-1-phenylethyl]amine can be used:In the synthesis of β-amino acids.In the preparation of chiral C(19)-C(26) and C(27)-C(32) moieties of scytophycin C.To induce enantioselectivity in the deprotonation of prochiral ketones.As a starting material for the synthesis of chiral phenolate ligands through Mannich condensation reaction.In the synthesis of chiral phosphoramidite ligands.To prepare chiral cyclic isoimidium salts, which are further used to synthesize chiral lactones through Diels-Alder reaction.

Specifications

Sinonimi

72S7Q417U4 | EN300-100621 | (R,R)-Bis(alpha-methylbenzyl)amine | (R,R)-BIS(.ALPHA.-METHYLBENZYL)AMINE | MFCD00243088 | Bis[(R)-1-phenylethyl]amine | (+)-Bis[(R)-1-phenylethyl]amine, ChiPros? | AMY25620 | SCHEMBL1200137 | BENZENEMETHANAMINE, .ALPHA.-METHYL

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488195599

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195599

Sorrisi canonici

CC(C1=CC=CC=C1)NC(C)C2=CC=CC=C2

IUPAC Name

(1R)-1-phenyl-N-[(1R)-1-phenylethyl]ethanamine

InChIKey

NXLACVVNHYIYJN-ZIAGYGMSSA-N

INCHI

1S/C16H19N/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3-14,17H,1-2H3/t13-,14-/m1/s1

Isomeri SMILES

C[C@H](C1=CC=CC=C1)N[C@H](C)C2=CC=CC=C2

WGK Germania

3

Peso molecolare

225.33

Beilstein

3590930

Reaxy-Rn

2213994

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213994&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Benzene and substituted derivatives Dialkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Punto di infiammabilità (°F): >235.4 °F
• Punto di infiammabilità (°C): >113 °C
• Punto di fusione (°C): 86 °C/0.05 mmHg
• Peso molecolare: 225.330 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 225.152 Da
• Monoisotopic Mass: 225.152 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 180.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% 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 23294-41-9, the molecular formula is [C6H5CH(CH3)]2NH, and the molecular weight is 225.33 g/mol. InChIKey NXLACVVNHYIYJN-ZIAGYGMSSA-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.