7-Methylindole - ≥98% , CAS No.933-67-5

CAS: 933-67-5 Cat. No.: M107954 Formule: C₉H₉N Poids moléculaire: 131.17 Beilstein Registry Number: 111088 Numéro CE: 213-270-1

QUALITÉ & PURETÉ ≥98%

Synonyms

NSC 618 | M1702 | FT-0602395 | SY005774 | 7-methyl indole | Z1171217428 | AB2914 | M-3944 | Q4642877 | 7-Methyl-1H-indole # | NSC618 | NSC-618 | 7-methyindole | PRN-2246 | 7-Methylindole | 7-methyl-indole | InChI=1/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Usually used as reactant for preparation of Plant growth inhibitors,Antifungal agents, Inhibitors of HIV-1 attachment;and also used as reactant for Friedel-Crafts alkylation reactions,Reductive formylation reactions.

Spécifications

Synonymes

NSC 618 | M1702 | FT-0602395 | SY005774 | 7-methyl indole | Z1171217428 | AB2914 | M-3944 | Q4642877 | 7-Methyl-1H-indole # | NSC618 | NSC-618 | 7-methyindole | PRN-2246 | 7-Methylindole | 7-methyl-indole | InChI=1/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504754512

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754512

Sourires canoniques

CC1=C2C(=CC=C1)C=CN2

IUPAC Name

7-methyl-1H-indole

InChIKey

KGWPHCDTOLQQEP-UHFFFAOYSA-N

INCHI

1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H,1H3

Isomères SMILES

CC1=C2C(=CC=C1)C=CN2

WGK Allemagne

3

Poids moléculaire

131.17

Beilstein

111088

Reaxy-Rn

111088

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111088&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Cibles associées (humaines)

CDK5 Tchem Cyclin-dependent kinase 5/CDK5 activator 1 (3697 Activities)

Discover Target: CDK5

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

GSK3A Tclin Glycogen synthase kinase-3 (736 Activities)

Discover Target: GSK3A

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

Cibles associées (non humaines)

PTR1 Pteridine reductase 1 (345 Activities)

Discover Target: PTR1

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.Chloroform (Slightly), Methanol (Slightly)
• Sensibilité: light sensitive
• Point d'ébullition (°C): 266°C
• Point de fusion (°C): 80-84°C
• Poids moléculaire: 131.170 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 131.073 Da
• Monoisotopic Mass: 131.073 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 933-67-5, the molecular formula is C9H9N, and the molecular weight is 131.17 g/mol. InChIKey KGWPHCDTOLQQEP-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.