4-Hydroxy-2-methylindole - ≥95% , CAS No.35320-67-3

CAS: 35320-67-3 Cat. No.: H134126 Molecular Weight: 147.18 EC Number: 676-228-5

GRADE & PURITY ≥95%

Synonyms

SCHEMBL933745 | 2-methyl-4-hydroxyindole | 4-hydroxy-2-methyl indole | A6202 | CG-0507 | 2-Methyl-1H-indol-4-ol # | 2-methyl-4-hydroxy indole | 2-Methyl-1H-indol-4-ol | AM803765 | InChI=1/C9H9NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h2-5,10-11H,1H3 | XBVSGEGNQZAQP

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL933745 | 2-methyl-4-hydroxyindole | 4-hydroxy-2-methyl indole | A6202 | CG-0507 | 2-Methyl-1H-indol-4-ol # | 2-methyl-4-hydroxy indole | 2-Methyl-1H-indol-4-ol | AM803765 | InChI=1/C9H9NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h2-5, 10-11H, 1H3 | XBVSGEGNQZAQP

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC1=CC2=C(N1)C=CC=C2O
• IUPAC Name: 2-methyl-1H-indol-4-ol
• InChIKey: XBVSGEGNQZAQPM-UHFFFAOYSA-N
• INCHI: 1S/C9H9NO/c1-6-5-7-8(10-6)3-2-4-9(7)11/h2-5,10-11H,1H3
• Isomeric SMILES: CC1=CC2=C(N1)C=CC=C2O
• Molecular Weight: 147.18
• Reaxy-Rn: 1526034
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1526034&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: Indoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Indole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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

Chemical and Physical Properties

• Molecular Weight: 147.170 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.068 Da
• Monoisotopic Mass: 147.068 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 148.000
• 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