Indoline - ≥99% , CAS No.496-15-1

CAS: 496-15-1 Cat. No.: I103557 Fórmula: C₈H₉N Peso molecular: 119.16 Beilstein Registry Number: 111915 Número CE: 207-816-8

GRAU & PUREZA ≥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

Especificações

Sinónimos

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

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488181115

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

C1CNC2=CC=CC=C21

WGK Alemanha

3

RTECS

NL6906300

Peso molecular

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
    • 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
• Descrição: 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

Alvos associados (humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Fully misicible in water at 5 g/L (20°C).
• Sensibilidade: Light & Air Sensitive
• Índice de refração: 1.592
• Ponto de inflamação (°F): 199.4 °F
• Ponto de inflamação (°C): 92°C
• Ponto de ebulição (°C): 220-221°C
• Ponto de fusão (°C): -21°C
• Peso molecular: 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