Indoline - ≥99% , CAS No.496-15-1

CAS: 496-15-1 Cat. No.: I103557 分子式: C₈H₉N 分子量: 119.16 Beilstein Registry Number: 111915 EC番号: 207-816-8

グレード＆純度 ≥99%

Synonyms

Indoline, 19|Dihydroindole|Indoline|indoline-|Azaindane|aza-indane|2,3-DIHYDROINDOLE|1H-Indole, 2,3-dihydro-|1-Azaindan|2,3-Dihydro-1H-indole|2,3-dihydro-1 H-indole|Indole, 2,3-dihydro-|(2,4-DIMETHYLPHENYL)THIO]ACETICACID

Storage

Argon charged,Room temperature

Shipped In

Normal

仕様

同義語

Indoline, 19 | Dihydroindole | Indoline | indoline- | Azaindane | aza-indane | 2,3-DIHYDROINDOLE | 1H-Indole, 2,3-dihydro- | 1-Azaindan | 2,3-Dihydro-1H-indole | 2,3-dihydro-1 H-indole | Indole, 2,3-dihydro- | (2,4-DIMETHYLPHENYL)THIO]ACETICACID

仕様と純度

≥99%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

488181115

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181115

カノニカル・スマイル

C1CNC2=CC=CC=C21

IUPAC Name

2,3-dihydro-1H-indole

InChIKey

LPAGFVYQRIESJQ-UHFFFAOYSA-N

INCHI

1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2

異性体SMILES

C1CNC2=CC=CC=C21

WGKドイツ

3

RTECS

NL6906300

分子量

119.16

Beilstein

111915

Reaxy-Rn

111915

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111915&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: indoles

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

関連ターゲット（人間）

CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)

Discover Target: CES1

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Fully misicible in water at 5 g/L (20°C).
• 感度: Light & Air Sensitive
• 屈折率: 1.592
• 引火点（°F）: 199.4 °F
• 引火点（°C）: 92°C
• 沸点（°C）: 220-221°C
• 融点（°C）: -21°C
• 分子量: 119.160 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 119.073 Da
• Monoisotopic Mass: 119.073 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• 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