2-Methylindole-3-carboxamide - ≥98%(T) , CAS No.67242-60-8

CAS: 67242-60-8 Cat. No.: M158549 Formule: C₁₀H₁₀N₂O Poids moléculaire: 174.2 Numéro CE: 109-022-6

GRADE & PURITY ≥98%(T)

Synonyms

2-methyl-1H-indole-3-carboxamide | 2-methyl-1H-indole-3-carboxamid | Benzamide, 2-benzoyl- | AKOS009076825 | T71206 | MFCD00143101 | 2-Methylindole-3-carboxamide | A835678 | 2-Methyl-1H-indole-3-carboxamide, AldrichCPR | WS-01985 | DTXSID80497212 | 3-Carb

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

2-methyl-1H-indole-3-carboxamide | 2-methyl-1H-indole-3-carboxamid | Benzamide, 2-benzoyl- | AKOS009076825 | T71206 | MFCD00143101 | 2-Methylindole-3-carboxamide | A835678 | 2-Methyl-1H-indole-3-carboxamide, AldrichCPR | WS-01985 | DTXSID80497212 | 3-Carb

Spécifications et pureté

≥98%(T)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(T)

Noms et identifiants

• Sourires canoniques: CC1=C(C2=CC=CC=C2N1)C(=O)N
• IUPAC Name: 2-methyl-1H-indole-3-carboxamide
• InChIKey: QKWLFJZXUBMFLU-UHFFFAOYSA-N
• INCHI: 1S/C10H10N2O/c1-6-9(10(11)13)7-4-2-3-5-8(7)12-6/h2-5,12H,1H3,(H2,11,13)
• Isomères SMILES: CC1=C(C2=CC=CC=C2N1)C(=O)N
• Poids moléculaire: 174.2
• Reaxy-Rn: 6467
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6467&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxamides and derivatives
• Alternative Parents: Indoles Pyrrole carboxamides Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxamide derivative - Indole - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Primary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
• 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

Propriétés chimiques et physiques

• Sensibilité: Light Sensitive,Air Sensitive
• Point de fusion (°C): 225 °C
• Poids moléculaire: 174.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 174.079 Da
• Monoisotopic Mass: 174.079 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 217.000
• 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