5-(1-Hydroxyethyl)-2-methylpyridine - ≥97% , CAS No.100189-16-0

CAS: 100189-16-0 Cat. No.: H189264 Formula: C₈H₁₁NO Peso molecolare: 137.18

GRADE & PURITY ≥97%

Synonyms

SB30031 | MFCD06637422 | SY114213 | A897554 | LYMOQGXOROSRPJ-UHFFFAOYSA-N | DS-11916 | 1-(6-METHYL-PYRIDIN-3-YL)-ETHANOL | 1-(6-methylpyridin-3-yl)ethanol | AKOS012457011 | 5-(1-HYDROXYETHYL)-2-METHYLPYRIDINE | 3-Pyridinemethanol, alpha,6-dimethyl- | 1-(6

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SB30031 | MFCD06637422 | SY114213 | A897554 | LYMOQGXOROSRPJ-UHFFFAOYSA-N | DS-11916 | 1-(6-METHYL-PYRIDIN-3-YL)-ETHANOL | 1-(6-methylpyridin-3-yl)ethanol | AKOS012457011 | 5-(1-HYDROXYETHYL)-2-METHYLPYRIDINE | 3-Pyridinemethanol, alpha,6-dimethyl- | 1-(6

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CC1=NC=C(C=C1)C(C)O

IUPAC Name

1-(6-methylpyridin-3-yl)ethanol

InChIKey

LYMOQGXOROSRPJ-UHFFFAOYSA-N

INCHI

1S/C8H11NO/c1-6-3-4-8(5-9-6)7(2)10/h3-5,7,10H,1-2H3

Isomeri SMILES

CC1=NC=C(C=C1)C(C)O

Peso molecolare

137.18

Reaxy-Rn

112037

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112037&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Heteroaromatic compound - Secondary alcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl 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

• Peso molecolare: 137.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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