N-(Hydroxymethyl)nicotinamide - ≥97%(HPLC) , CAS No.3569-99-1

CAS: 3569-99-1 Cat. No.: N159804 Fórmula: C₇H₈N₂O₂ Peso molecular: 152.15 Beilstein Registry Number: 22(5)2,93 Número EC: 222-668-4

GRADE & PURITY ≥97%(HPLC)

Synonyms

AC-6974 | Spectrum5_001885 | Bilocid | Isochol | Savatin | Bidbilan | N-(Hytroxymethy)micotinamide | Nicotinylmethylamide,(S) | Oprea1_521547 | 3-Pyridinecarboxylic acid hydroxymethylamide | KBio2_005992 | 1,1'-Biphenyl, 4-(phenylmethyl)- | H1001 | N-(Hyd

Storage

Room temperature

Shipped In

Normal

Descripción general

A quantitative determination of N-(hydroxymethyl)nicotinamide in tablets and basic solutions along with nicotinic acid by thin-layer chromatography-densitometric method has been reported. N-(Hydroxymethyl)nicotinamide is an antimicrobial agent

Specifications

Sinónimos

AC-6974 | Spectrum5_001885 | Bilocid | Isochol | Savatin | Bidbilan | N-(Hytroxymethy)micotinamide | Nicotinylmethylamide,(S) | Oprea1_521547 | 3-Pyridinecarboxylic acid hydroxymethylamide | KBio2_005992 | 1,1'-Biphenyl, 4-(phenylmethyl)- | H1001 | N-(Hyd

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥97%(HPLC)

Nombres e identificadores

Pubchem Sid

488185374

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185374

Sonrisas canónicas

C1=CC(=CN=C1)C(=O)NCO

IUPAC Name

N-(hydroxymethyl)pyridine-3-carboxamide

InChIKey

JRFKIOFLCXKVOT-UHFFFAOYSA-N

INCHI

1S/C7H8N2O2/c10-5-9-7(11)6-2-1-3-8-4-6/h1-4,10H,5H2,(H,9,11)

Isómeros SMILES

C1=CC(=CN=C1)C(=O)NCO

WGK Alemania

3

RTECS

QS4476500

Peso molecular

152.15

Beilstein

22(5)2,93

Reaxy-Rn

128633

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128633&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxamides
          • Level6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Alkanolamines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide 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

Objetivos asociados (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Punto de fusión (°C): 152-154 °C
• Peso molecular: 152.150 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.059 Da
• Monoisotopic Mass: 152.059 Da
• Topological Polar Surface Area: 62.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3569-99-1, the molecular formula is C7H8N2O2, and the molecular weight is 152.15 g/mol. InChIKey JRFKIOFLCXKVOT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.