2-[(S)-1-Hydroxyethyl]pyridine - ≥97%(GC)(T) , CAS No.59042-90-9

CAS: 59042-90-9 Cat. No.: S161029 Peso molecular: 123.16 Beilstein Registry Number: 21(5)2,204 Número EC: 625-667-0 PubChem CID: 11094597

GRADE & PURITY ≥97%(GC)(T)

Synonyms

(S)-1-(pyridin-2-yl)ethan-1-ol | 2-[(S)-1-Hydroxyethyl]pyridine | H1263 | C16040 | (S)-1-(2-Pyridyl)ethanol | (s)-1-(2-pyridyl)-ethanol | SCHEMBL1193974 | (S)-(-)-2-(1-HYDROXYETHYL)PYRIDINE | (1S)-1-(pyridin-2-yl)ethan-1-ol | (S)-1-Pyridin-2-yl-ethanol |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

(S)-1-(pyridin-2-yl)ethan-1-ol | 2-[(S)-1-Hydroxyethyl]pyridine | H1263 | C16040 | (S)-1-(2-Pyridyl)ethanol | (s)-1-(2-pyridyl)-ethanol | SCHEMBL1193974 | (S)-(-)-2-(1-HYDROXYETHYL)PYRIDINE | (1S)-1-(pyridin-2-yl)ethan-1-ol | (S)-1-Pyridin-2-yl-ethanol |

Especificaciones y pureza

≥97%(GC)(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥97%(GC)(T)

Nombres e identificadores

• Pubchem Sid: 504765988
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765988
• Sonrisas canónicas: CC(C1=CC=CC=N1)O
• IUPAC Name: (1S)-1-pyridin-2-ylethanol
• InChIKey: PPHIIIRFJKDTLG-LURJTMIESA-N
• INCHI: 1S/C7H9NO/c1-6(9)7-4-2-3-5-8-7/h2-6,9H,1H3/t6-/m0/s1
• Isómeros SMILES: C[C@@H](C1=CC=CC=N1)O
• PubChem CID: 11094597
• Peso molecular: 123.16
• Beilstein: 21(5)2,204
• Reaxy-Rn: 1524524

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Secondary alcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Toluene
• Sensibilidad: Air Sensitive,Heat Sensitive
• Rotación específica [α]: -29° (C=1,Toluene)
• Punto de inflamación (°C): 81 °C
• Punto de fusión (°C): 29°C(lit.)
• Peso molecular: 123.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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