6-Methylnicotinamide - ≥98%(HPLC) , CAS No.6960-22-1

CAS: 6960-22-1 Cat. No.: M139191 분자식: C₇H₈N₂O 분자량: 136.15 EC 번호: 624-639-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-Methylpyridine-5-carboxamide | 2-(1H-Tetrazol-5-yl)phenylboronic acid | 6-Methylpyridine-3-carboxamide, 98% | Oprea1_578035 | Regorafenib (BAY 73-4506) | Z57493539 | 3-Pyridinecarboxamide, 6-methyl- | J-518914 | SY023122 | PD166625 | NSC69797 | NSC-6979

Storage

Room temperature

Shipped In

Normal

개요

6-Methylpyridine-3-carboxamide may be used in chemical synthesis studies.

Specifications

동의어

2-Methylpyridine-5-carboxamide | 2-(1H-Tetrazol-5-yl)phenylboronic acid | 6-Methylpyridine-3-carboxamide, 98% | Oprea1_578035 | Regorafenib (BAY 73-4506) | Z57493539 | 3-Pyridinecarboxamide, 6-methyl- | J-518914 | SY023122 | PD166625 | NSC69797 | NSC-6979

사양 및 순도

≥98%(HPLC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

488186991

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186991

정식 스마일

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

IUPAC Name

6-methylpyridine-3-carboxamide

InChIKey

IJXDURUAYOKSIS-UHFFFAOYSA-N

INCHI

1S/C7H8N2O/c1-5-2-3-6(4-9-5)7(8)10/h2-4H,1H3,(H2,8,10)

이성체 SMILES

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

WGK 독일

3

분자량

136.15

Reaxy-Rn

112050

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112050&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: Methylpyridines Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Methylpyridine - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 197-199°C
• 분자량: 136.150 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.064 Da
• Monoisotopic Mass: 136.064 Da
• Topological Polar Surface Area: 56.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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

자주 묻는 질문

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

This product is supplied at ≥98% 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 6960-22-1, the molecular formula is C7H8N2O, and the molecular weight is 136.15 g/mol. InChIKey IJXDURUAYOKSIS-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.