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

CAS: 7568-93-6 Cat. No.: A151123 Molecular Weight: 137.18 Beilstein Registry Number: 971222 EC Number: 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

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

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488179587
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179587
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)C(CN)O
• WGK Germany: 3
• RTECS: DN5500000
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive
• Melt Point(°C): 57 °C
• Molecular Weight: 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

References

1. Shen Yong, Bai Xue, Wang Jiaxi, Zhou Xiran, Meng Rizeng, Guo Na.  (2023)  Inhibitory Effect of Non-Saccharomyces Starmerella bacillaris CC-PT4 Isolated from Grape on MRSA Growth and Biofilm.  Probiotics and Antimicrobial Proteins,      [PMID:37639210] [10.1007/s12602-023-10146-7]

2. Yongzhan Mai, Songyao Peng, Haiyan Li, Zini Lai.  (2019)  Histological, biochemical and transcriptomic analyses reveal liver damage in zebrafish (Danio rerio) exposed to phenanthrene.  COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY C-TOXICOLOGY & PHARMACOLOGY,      [PMID:31374294] [10.1016/j.cbpc.2019.108582]