2-Hydroxymethyl-3,4-dimethoxypyridine - ≥97% , CAS No.72830-08-1

CAS: 72830-08-1 Cat. No.: H186282 Summenformel: C₈H₁₁NO₃ Molekulargewicht: 169.2

QUALITÄT & REINHEIT ≥97%

Synonyms

3,4-Dimethoxy-2-hydroxymethylpyridine | Pantoprazole Impurity 29 | LT0052 | UNII-SA96QR55LT | 3,4-Dimethoxypyridine-2-methanol | DTXSID50443948 | 3,4-Dimethoxy-2-(hydroxymethyl)pyridine | A837635 | FT-0602554 | SCHEMBL1004190 | PS-6291 | BKTHTLOKUUJKDF-UH

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

3,4-Dimethoxy-2-hydroxymethylpyridine | Pantoprazole Impurity 29 | LT0052 | UNII-SA96QR55LT | 3,4-Dimethoxypyridine-2-methanol | DTXSID50443948 | 3,4-Dimethoxy-2-(hydroxymethyl)pyridine | A837635 | FT-0602554 | SCHEMBL1004190 | PS-6291 | BKTHTLOKUUJKDF-UH

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488196794

Kanonisches Lächeln

COC1=C(C(=NC=C1)CO)OC

IUPAC Name

(3,4-dimethoxypyridin-2-yl)methanol

InChIKey

BKTHTLOKUUJKDF-UHFFFAOYSA-N

INCHI

1S/C8H11NO3/c1-11-7-3-4-9-6(5-10)8(7)12-2/h3-4,10H,5H2,1-2H3

Isomere SMILES

COC1=C(C(=NC=C1)CO)OC

Molekulargewicht

169.2

Reaxy-Rn

4862353

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4862353&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 169.180 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 169.074 Da
• Monoisotopic Mass: 169.074 Da
• Topological Polar Surface Area: 51.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 131.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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