L-Phenylglycinol - ≥98% , CAS No.20989-17-7

CAS: 20989-17-7 Cat. No.: P109343 Formula: C₈H₁₁NO Peso molecolare: 137.18 Beilstein Registry Number: 3196190 Numero EC: 606-683-7

GRADE & PURITY ≥98%

Synonyms

(S)-(+)-2-amino-2-phenylethan-1-ol | AM20060812 | BCP28531 | s-phenylglycinol | (2s)-2-amino-2-phenylethanol | DTXSID90943295 | IJXJGQCXFSSHNL-MRVPVSSYSA-N | MDL 71754 | (s)-phenyl glycinol | (R)-(+)-2-Phenylglycinol | (S)-(+)-2-phenyl glycinol | (S)-(+)-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

Used in a synthesis of chiral, unsymmetrical bisoxazolines

Specifications

Sinonimi

(S)-(+)-2-amino-2-phenylethan-1-ol | AM20060812 | BCP28531 | s-phenylglycinol | (2s)-2-amino-2-phenylethanol | DTXSID90943295 | IJXJGQCXFSSHNL-MRVPVSSYSA-N | MDL 71754 | (s)-phenyl glycinol | (R)-(+)-2-Phenylglycinol | (S)-(+)-2-phenyl glycinol | (S)-(+)-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504757036

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757036

Sorrisi canonici

C1=CC=C(C=C1)C(CO)N

IUPAC Name

(2S)-2-amino-2-phenylethanol

InChIKey

IJXJGQCXFSSHNL-MRVPVSSYSA-N

INCHI

1S/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/m1/s1

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

137.18

Beilstein

3196190

Reaxy-Rn

971219

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971219&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 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Monocyclic benzene moiety - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Primary aliphatic amine - Alcohol - 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: Soluble in chloroform, dimethylsulfoxide and methanol. Limited solubility in water
• Sensibilità: heat & air sensitive
• Rotazione specifica [α]: 30° (C=1,EtOH)
• Punto di fusione (°C): 76-79°C
• Peso molecolare: 137.180 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 89.300
• 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