3-Hydroxy-4-methoxyaniline - ≥98%(GC) , CAS No.1687-53-2

CAS: 1687-53-2 Cat. No.: H157240 Molecular Weight: 139.15 Beilstein Registry Number: 13(4)2507 EC Number: 216-873-8

GRADE & PURITY ≥98%(GC)

Synonyms

DTXSID60168594 | FT-0620012 | SY007941 | AM84582 | EINECS 216-873-8 | 5-Amino-2-methoxyphenol, 98% | SCHEMBL94025 | Guaiacol, 5-amino- | MFCD00010222 | 2,4-Dianilino-6-chloro-1,3,5-triazine | 3-Hydroxy-4-methoxyaniline | 3-hydroxy4-methoxyaniline | AKOS00

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

5-Amino-2-methoxyphenol reacts with ninhydrin to yield tetrahydroindeno[1,2-b]indolones.

Specifications

Synonyms

DTXSID60168594 | FT-0620012 | SY007941 | AM84582 | EINECS 216-873-8 | 5-Amino-2-methoxyphenol, 98% | SCHEMBL94025 | Guaiacol, 5-amino- | MFCD00010222 | 2, 4-Dianilino-6-chloro-1, 3, 5-triazine | 3-Hydroxy-4-methoxyaniline | 3-hydroxy4-methoxyaniline | AKOS00

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488184909
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184909
• Canonical Smiles: COC1=C(C=C(C=C1)N)O
• IUPAC Name: 5-amino-2-methoxyphenol
• InChIKey: BLQFHJKRTDIZLX-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,8H2,1H3
• Isomeric SMILES: COC1=C(C=C(C=C1)N)O
• WGK Germany: 3
• Molecular Weight: 139.15
• Beilstein: 13(4)2507
• Reaxy-Rn: 2717084
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2717084&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Methoxyanilines Aminophenyl ethers m-Aminophenols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Aminophenyl ether - Methoxyaniline - Aminophenol - Phenoxy compound - M-aminophenol - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ether - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Primary amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

Associated Targets(non-human)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Melt Point(°C): 130 °C
• Molecular Weight: 139.150 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.063 Da
• Monoisotopic Mass: 139.063 Da
• Topological Polar Surface Area: 55.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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

References

1. Liangkui Hu, Bing Li, Yulong Liao, Simeng Wang, Peng Hou, Yangyang Cheng, Shiyong Zhang.  (2022)  Nitroreductase-induced bioorthogonal ligation for prodrug activation: A traceless strategy for cancer-specific imaging and therapy.  BIOORGANIC CHEMISTRY,      [PMID:36166897] [10.1016/j.bioorg.2022.106167]