5,6-Dimethoxyindoline - ≥97% , CAS No.15937-07-2

CAS: 15937-07-2 Cat. No.: D191214 分子式: C₁₀H₁₃NO₂ 分子量: 179.22 EC番号: 927-137-7

GRADE & PURITY ≥97%

Synonyms

5,6-dimethoxy-2,3-dihydro-1H-indole | AM20030072 | 1H-Indole, 2,3-dihydro-5,6-dimethoxy- | AKOS009132678 | DTXSID70453786 | DPRMKYPHVPDUIH-UHFFFAOYSA-N | DS-14542 | A810027 | Z259726284 | SB66202 | 5,6-dimethoxyindoline | EN300-98800 | F11824 | 5,6-dimeth

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

5,6-dimethoxy-2,3-dihydro-1H-indole | AM20030072 | 1H-Indole, 2,3-dihydro-5,6-dimethoxy- | AKOS009132678 | DTXSID70453786 | DPRMKYPHVPDUIH-UHFFFAOYSA-N | DS-14542 | A810027 | Z259726284 | SB66202 | 5,6-dimethoxyindoline | EN300-98800 | F11824 | 5,6-dimeth

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• カノニカル・スマイル: COC1=C(C=C2C(=C1)CCN2)OC
• IUPAC Name: 5,6-dimethoxy-2,3-dihydro-1H-indole
• InChIKey: DPRMKYPHVPDUIH-UHFFFAOYSA-N
• INCHI: 1S/C10H13NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h5-6,11H,3-4H2,1-2H3
• 異性体SMILES: COC1=C(C=C2C(=C1)CCN2)OC
• 分子量: 179.22
• Reaxy-Rn: 1529680
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1529680&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: Anisoles Secondary alkylarylamines Aralkylamines Alkyl aryl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Anisole - Phenol ether - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Secondary amine - Ether - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - 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: 179.220 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 179.095 Da
• Monoisotopic Mass: 179.095 Da
• Topological Polar Surface Area: 30.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 174.000
• 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

よくある質問

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 15937-07-2, the molecular formula is C10H13NO2, and the molecular weight is 179.22 g/mol. InChIKey DPRMKYPHVPDUIH-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.