6-Isopropylindole - ≥97%, used for Reactant for preparation of potent and selective 5-HT7 receptor ligands Reactant in triflic acid-catalyzed stereoselective Friedel-Crafts aminoalkylation reactions various applications , CAS No.32996-24-0

CAS: 32996-24-0 Cat. No.: I469093 Formula: C₁₁H₁₃N Peso molecolare: 159.23 Numero EC: 623-805-4

GRADE & PURITY ≥97%

Synonyms

6-Isopropylindole, 97% | 3-cyclopropyl-1H-pyrazole-5-carboxylicacid | DTXSID90584682 | 6-ISOPROPYLINDOLE 97 | J-018965 | SCHEMBL83970 | 6-Isopropylindole | 6-(Propan-2-yl)-1H-indole | 6-propan-2-yl-1H-indole

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

6-Isopropylindole, 97% | 3-cyclopropyl-1H-pyrazole-5-carboxylicacid | DTXSID90584682 | 6-ISOPROPYLINDOLE 97 | J-018965 | SCHEMBL83970 | 6-Isopropylindole | 6-(Propan-2-yl)-1H-indole | 6-propan-2-yl-1H-indole

Specifiche e purezza

≥97%

Applicazione

Reactant for preparation of potent and selective 5-HT7 receptor ligands Reactant in triflic acid-catalyzed stereoselective Friedel-Crafts aminoalkylation reactions

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

CC(C)C1=CC2=C(C=C1)C=CN2

IUPAC Name

6-propan-2-yl-1H-indole

InChIKey

UUNKRAWCQSWCJE-UHFFFAOYSA-N

INCHI

1S/C11H13N/c1-8(2)10-4-3-9-5-6-12-11(9)7-10/h3-8,12H,1-2H3

Isomeri SMILES

CC(C)C1=CC2=C(C=C1)C=CN2

WGK Germania

3

Peso molecolare

159.23

Reaxy-Rn

1237959

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237959&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 159.230 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 159.105 Da
• Monoisotopic Mass: 159.105 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 153.000
• 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