2-Amino-1-phenylethanol - ≥97%(GC) , CAS No.7568-93-6

CAS: 7568-93-6 Cat. No.: A151123 Summenformel: C₈H₁₁NO Molekulargewicht: 137.18 Beilstein Registry Number: 971222 EG-Nummer: 231-469-1

GRADE & PURITY ≥97%(GC)

Synonyms

(RS)-2-Amino-1-phenylethanol | Benzenemethanol, alpha-(aminomethyl)- (VAN) | beta-Hydroxy-beta-phenylethylamine | beta-hydroxy-beta-phenyl-Ethylamine | BRN 0971222 | Oprea1_790333 | (+-)-Phenylethanolamine | NSC5021 | NSC-5021 | Phenylethanolamin | (1R)-2

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

(RS)-2-Amino-1-phenylethanol | Benzenemethanol, alpha-(aminomethyl)- (VAN) | beta-Hydroxy-beta-phenylethylamine | beta-hydroxy-beta-phenyl-Ethylamine | BRN 0971222 | Oprea1_790333 | (+-)-Phenylethanolamine | NSC5021 | NSC-5021 | Phenylethanolamin | (1R)-2

Spezifikationen & Reinheit

≥97%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%(GC)

Namen und Kennungen

Pubchem Sid

488179587

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179587

Kanonisches Lächeln

C1=CC=C(C=C1)C(CN)O

IUPAC Name

2-amino-1-phenylethanol

InChIKey

ULSIYEODSMZIPX-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1=CC=C(C=C1)C(CN)O

WGK Deutschland

3

RTECS

DN5500000

Molekulargewicht

137.18

Beilstein

971222

Reaxy-Rn

971222

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971222&ln=

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 Secondary alcohols 1,2-aminoalcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aralkylamine - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Organooxygen compound - Primary aliphatic amine - Alcohol - Aromatic homomonocyclic 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: phenylethanolamines

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Schmelzpunkt (°C): 57 °C
• Molekulargewicht: 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: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1