3-Methylindoline - ≥95% , CAS No.4375-15-9

CAS: 4375-15-9 Cat. No.: M589123 Formule: C₉H₁₁N Poids moléculaire: 133.19

GRADE & PURITY ≥95%

Synonyms

3-methylindoline | SCHEMBL13372443 | EN300-41296 | 1H-Indole, 2,3-dihydro-3-methyl- | AKOS000282650 | MFCD07772115 | 3-Methyl Indoline | FT-0656676 | 3-methyl-dihydroindole | AKOS022206115 | 3-methyl-2,3-di-hydro-1H-indole | 3-methyl-2,3-dihydro-1H-indole

Storage

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

Shipped In

Wet ice

Specifications

Synonymes

3-methylindoline | SCHEMBL13372443 | EN300-41296 | 1H-Indole, 2,3-dihydro-3-methyl- | AKOS000282650 | MFCD07772115 | 3-Methyl Indoline | FT-0656676 | 3-methyl-dihydroindole | AKOS022206115 | 3-methyl-2,3-di-hydro-1H-indole | 3-methyl-2,3-dihydro-1H-indole

Spécifications et pureté

≥95%

Conditions de stockage de stockage

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

Expédié en

Wet ice

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

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 504759139
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759139
• Sourires canoniques: CC1CNC2=CC=CC=C12
• IUPAC Name: 3-methyl-2,3-dihydro-1H-indole
• InChIKey: BFQARNDIMKOOQQ-UHFFFAOYSA-N
• INCHI: 1S/C9H11N/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7,10H,6H2,1H3
• Isomères SMILES: CC1CNC2=CC=CC=C12
• Poids moléculaire: 133.19
• Reaxy-Rn: 2923
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2923&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

• 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: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1