Indolin-5-ol - ≥98% , CAS No.172078-33-0

CAS: 172078-33-0 Cat. No.: I191508 Formule: C₈H₉NO Poids moléculaire: 135.16

GRADE & PURITY ≥98%

Synonyms

AMY31798 | 5-hydroxyindoline | SCHEMBL59263 | SY111938 | 5-hydroxy-2,3-dihydro-1H-indole | EN300-338952 | Indolin-5-ol | AKOS006279674 | BDBM50291681 | 5-Indolinol | 2,3-dihydro-1H-indol-5-ol | 2,3-Dihydroindol-5-ol;Indolin-5-ol | DS-16441 | 1H-Indol-5-ol

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AMY31798 | 5-hydroxyindoline | SCHEMBL59263 | SY111938 | 5-hydroxy-2,3-dihydro-1H-indole | EN300-338952 | Indolin-5-ol | AKOS006279674 | BDBM50291681 | 5-Indolinol | 2,3-dihydro-1H-indol-5-ol | 2,3-Dihydroindol-5-ol;Indolin-5-ol | DS-16441 | 1H-Indol-5-ol

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1CNC2=C1C=C(C=C2)O
• IUPAC Name: 2,3-dihydro-1H-indol-5-ol
• InChIKey: MPCXQPXCYDDJSR-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9-10H,3-4H2
• Isomères SMILES: C1CNC2=C1C=C(C=C2)O
• Poids moléculaire: 135.16
• Reaxy-Rn: 4665392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4665392&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 1-hydroxy-2-unsubstituted benzenoids Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Secondary aliphatic/aromatic amine - Phenol - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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: 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

Cibles associées (humaines)

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

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

DRD4 Tchem Dopamine D4 receptor (7907 Activities)

Discover Target: DRD4

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 135.160 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 135.068 Da
• Monoisotopic Mass: 135.068 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 172078-33-0, the molecular formula is C8H9NO, and the molecular weight is 135.16 g/mol. InChIKey MPCXQPXCYDDJSR-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.