Indoline - ≥99% , CAS No.496-15-1

CAS: 496-15-1 Cat. No.: I103557 Formule: C₈H₉N Poids moléculaire: 119.16 Beilstein Registry Number: 111915 Numéro CE: 207-816-8

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488181115

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1CNC2=CC=CC=C21

WGK Allemagne

3

RTECS

NL6906300

Poids moléculaire

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
• 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: 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

Cibles associées (humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Fully misicible in water at 5 g/L (20°C).
• Sensibilité: Light & Air Sensitive
• Indice de réfraction: 1.592
• Point d'éclair (°F): 199.4 °F
• Point d'éclair (°C): 92°C
• Point d'ébullition (°C): 220-221°C
• Point de fusion (°C): -21°C
• Poids moléculaire: 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