(2-Amino-5-methoxyphenyl)methanol - ≥97% , CAS No.55414-72-7

CAS: 55414-72-7 Cat. No.: A589468 Molecular Weight: 153.18 EC Number: 969-801-9

GRADE & PURITY ≥97%

Synonyms

2-Amino-5-methoxy-benzenemethanol | DTXSID00548513 | SCHEMBL3377786 | F20075 | SB76001 | J-507958 | MFCD09966091 | SY129147 | HWUGOLZPDIJNFX-UHFFFAOYSA-N | (2-amino-5-methoxyphenyl)methanol | (2-Amino-5-methoxy-phenyl)-methanol | 2-amino-5-methoxybenzyl a

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-Amino-5-methoxy-benzenemethanol | DTXSID00548513 | SCHEMBL3377786 | F20075 | SB76001 | J-507958 | MFCD09966091 | SY129147 | HWUGOLZPDIJNFX-UHFFFAOYSA-N | (2-amino-5-methoxyphenyl)methanol | (2-Amino-5-methoxy-phenyl)-methanol | 2-amino-5-methoxybenzyl a

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=CC(=C(C=C1)N)CO
• IUPAC Name: (2-amino-5-methoxyphenyl)methanol
• InChIKey: HWUGOLZPDIJNFX-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4,10H,5,9H2,1H3
• Isomeric SMILES: COC1=CC(=C(C=C1)N)CO
• Molecular Weight: 153.18
• Reaxy-Rn: 1102195
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1102195&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Methoxyanilines Phenoxy compounds Methoxybenzenes Benzyl alcohols Anisoles Alkyl aryl ethers Primary amines Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Benzyl alcohol - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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: 153.180 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.079 Da
• Monoisotopic Mass: 153.079 Da
• Topological Polar Surface Area: 55.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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