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

CAS: 4375-15-9 Cat. No.: M589123 分子式: C₉H₁₁N 分子量: 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

同義語

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

仕様と純度

≥95%

保管条件

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

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• パブケム・シド: 504759139
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504759139
• カノニカル・スマイル: 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
• 異性体SMILES: CC1CNC2=CC=CC=C12
• 分子量: 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
    • 分類 Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 分子量: 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