Indigotin - 10mM in DMSO , CAS No.482-89-3

CAS: 482-89-3 Cat. No.: I424196 Formule: C₁₆H₁₀O₂N₂ Poids moléculaire: 262.26 Beilstein Registry Number: 88275 Numéro CE: 207-586-9

GRADE & PURITY 10mM in DMSO

Synonyms

INDIGO|482-89-3|Indigotin|Indigo Blue|Vat blue 1|Cystoceva|Diindogen|Vulcafix Blue R|Indigo Pure BASF|Indigo Ciba|Indigo Synthetic|Synthetic Indigo|Indigo J|Indigo N|Indigo P|Indigo Powder W|Vulcafor Blue A|Vynamon Blue A|Indigo VS|Indigo Ciba SL|Indigo N

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

INDIGO | 482-89-3 | Indigotin | Indigo Blue | Vat blue 1 | Cystoceva | Diindogen | Vulcafix Blue R | Indigo Pure BASF | Indigo Ciba | Indigo Synthetic | Synthetic Indigo | Indigo J | Indigo N | Indigo P | Indigo Powder W | Vulcafor Blue A | Vynamon Blue A | Indigo VS | Indigo Ciba SL | Indigo N

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528776420

Sourires canoniques

C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O

IUPAC Name

2-(3-hydroxy-1H-indol-2-yl)indol-3-one

InChIKey

QQILFGKZUJYXGS-UHFFFAOYSA-N

INCHI

1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17,19H

Isomères SMILES

C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C3=O)O

WGK Allemagne

1

RTECS

DU2988400

Poids moléculaire

262.26

Beilstein

88275

Reaxy-Rn

37935110

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37935110&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: Indoles Aryl ketones Substituted pyrroles Benzenoids Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Indole - Aryl ketone - Benzenoid - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Ketimine - Ketone - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
• 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

Propriétés chimiques et physiques

• Point d'éclair (°F): >428℉
• Point d'éclair (°C): >220℃
• Point de fusion (°C): 390-392°C
• Poids moléculaire: 262.260 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 262.074 Da
• Monoisotopic Mass: 262.074 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 448.000
• 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