1,3-Dihydro-6-methyl-furo[3,4-c]pyridin-7-ol - ≥95% , CAS No.5196-20-3

CAS: 5196-20-3 Cat. No.: P353092 Molecular Weight: 151.16 PubChem CID: 78869

GRADE & PURITY ≥95%

Synonyms

Furo(3,4-c)pyridin-7-ol, 1,3-dihydro-6-methyl- | 6-Methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol, Pyridoxine Hydrochloride Imp. A (EP); 1,3-Dihydro-6-methylfuro[3,4-c]pyridin-7-ol; Pyridoxine Imp. A (EP); Pyridoxine Hydrochloride Impurity A; Pyridoxine Impur

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Pyridoxine Cyclic Ether Impurity is a Pyridoxine analog as well as a Pyridoxine impurity.

Specifications

Synonyms

Furo(3, 4-c)pyridin-7-ol, 1, 3-dihydro-6-methyl- | 6-Methyl-1, 3-dihydrofuro[3, 4-c]pyridin-7-ol, Pyridoxine Hydrochloride Imp. A (EP); 1, 3-Dihydro-6-methylfuro[3, 4-c]pyridin-7-ol; Pyridoxine Imp. A (EP); Pyridoxine Hydrochloride Impurity A; Pyridoxine Impur

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: CC1=NC=C2COCC2=C1O
• IUPAC Name: 6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-ol
• InChIKey: GFEZPGADIMGWOH-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO2/c1-5-8(10)7-4-11-3-6(7)2-9-5/h2,10H,3-4H2,1H3
• Isomeric SMILES: CC1=NC=C2COCC2=C1O
• PubChem CID: 78869
• Molecular Weight: 151.16

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Hydroxypyridines Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Methylpyridine - Hydroxypyridine - Heteroaromatic compound - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Melt Point(°C): >215° C (dec.)
• Molecular Weight: 151.160 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 151.000
• 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