3-Amino-4-hydroxypyridine - ≥98% , CAS No.6320-39-4

CAS: 6320-39-4 Cat. No.: A115784 Molecular Weight: 110.12 EC Number: 676-800-4

GRADE & PURITY ≥98%

Synonyms

EN300-42089 | KUC106688N | 3-amino-4-hydroxypyridine, AldrichCPR | MFCD04114230 | F8880-3218 | FT-0726538 | [1,1'-biphenyl]4-carbo-nyl chloride | AKOS005199005 | 3-Amino-4-hydroxypyridine | AM804166 | NSC31886 | 3-Aminopyridin-4(1H)-one | AKOS025395573 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

EN300-42089 | KUC106688N | 3-amino-4-hydroxypyridine, AldrichCPR | MFCD04114230 | F8880-3218 | FT-0726538 | [1, 1'-biphenyl]4-carbo-nyl chloride | AKOS005199005 | 3-Amino-4-hydroxypyridine | AM804166 | NSC31886 | 3-Aminopyridin-4(1H)-one | AKOS025395573 |

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188845
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188845
• Canonical Smiles: C1=CNC=C(C1=O)N
• IUPAC Name: 3-amino-1H-pyridin-4-one
• InChIKey: OIIBRAGQGFLUFI-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2O/c6-4-3-7-2-1-5(4)8/h1-3H,6H2,(H,7,8)
• Isomeric SMILES: C1=CNC=C(C1=O)N
• Molecular Weight: 110.12
• Reaxy-Rn: 471428
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471428&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Dihydropyridines Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - Dihydropyridine - Hydropyridine - Vinylogous amide - Heteroaromatic compound - Cyclic ketone - Azacycle - Organic oxide - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
• 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

• Solubility: Solubility in methanol
• Sensitivity: Air sensitive
• Melt Point(°C): 145-149°C
• Molecular Weight: 110.110 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 110.048 Da
• Monoisotopic Mass: 110.048 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 169.000
• 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