5-Methylindoline - ≥98% , CAS No.65826-95-1

CAS: 65826-95-1 Cat. No.: M128091 Formule: C₉H₁₁N Poids moléculaire: 133.19 Numéro CE: 672-683-9

GRADE & PURITY ≥98%

Synonyms

MFCD03093636 | JFUAVVHABJWSFX-UHFFFAOYSA-N | SB38166 | M1372 | Q-102596 | Z235539062 | SY052833 | FT-0649071 | 2,3-Dihydro-5-methyl-1H-indole | DTXSID30554460 | 5-Methylindoline, AldrichCPR | 5-methyl-2,3-dihydro-1H-indole | 1H-Indole, 2,3-dihydro-5-methy

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

MFCD03093636 | JFUAVVHABJWSFX-UHFFFAOYSA-N | SB38166 | M1372 | Q-102596 | Z235539062 | SY052833 | FT-0649071 | 2,3-Dihydro-5-methyl-1H-indole | DTXSID30554460 | 5-Methylindoline, AldrichCPR | 5-methyl-2,3-dihydro-1H-indole | 1H-Indole, 2,3-dihydro-5-methy

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CC1=CC2=C(C=C1)NCC2
• IUPAC Name: 5-methyl-2,3-dihydro-1H-indole
• InChIKey: JFUAVVHABJWSFX-UHFFFAOYSA-N
• INCHI: 1S/C9H11N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,6,10H,4-5H2,1H3
• Isomères SMILES: CC1=CC2=C(C=C1)NCC2
• Poids moléculaire: 133.19
• Reaxy-Rn: 4378825
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4378825&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Secondary alkylarylamines Aralkylamines Benzenoids Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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
• Indice de réfraction: 1.5750 to 1.5790
• Poids moléculaire: 133.190 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.089 Da
• Monoisotopic Mass: 133.089 Da
• Topological Polar Surface Area: 12.000 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 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 65826-95-1, the molecular formula is C9H11N, and the molecular weight is 133.19 g/mol. InChIKey JFUAVVHABJWSFX-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.