2-Amino-3-methylbenzyl alcohol - ≥98% , CAS No.57772-50-6

CAS: 57772-50-6 Cat. No.: A350887 Molecular Weight: 137.18 EC Number: 625-572-4

GRADE & PURITY ≥98%

Synonyms

(2-Amino-3-methylphenyl)methanol # | DTXSID60341941 | A923090 | MFCD00075027 | STL557580 | 2-Amino-3-methylbenzyl alcohol | SY129145 | (2-Amino-3-methylphenyl)methanol | (2-Amino-3-methyl-phenyl)methanol | (2-Amino-3-methyl-phenyl)-methanol | AC-17881 | M

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Product Application：

2-Amino-3-methylbenzyl alcohol may be used in chemical synthesis.

Specifications

Synonyms

(2-Amino-3-methylphenyl)methanol # | DTXSID60341941 | A923090 | MFCD00075027 | STL557580 | 2-Amino-3-methylbenzyl alcohol | SY129145 | (2-Amino-3-methylphenyl)methanol | (2-Amino-3-methyl-phenyl)methanol | (2-Amino-3-methyl-phenyl)-methanol | AC-17881 | M

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504759332
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759332
• Canonical Smiles: CC1=C(C(=CC=C1)CO)N
• IUPAC Name: (2-amino-3-methylphenyl)methanol
• InChIKey: FWTCWZZOKOBJIR-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO/c1-6-3-2-4-7(5-10)8(6)9/h2-4,10H,5,9H2,1H3
• Isomeric SMILES: CC1=C(C(=CC=C1)CO)N
• WGK Germany: 3
• Molecular Weight: 137.18
• Reaxy-Rn: 1210319
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210319&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Aniline and substituted anilines Aminotoluenes Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Aniline or substituted anilines - Aminotoluene - Toluene - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Aromatic alcohol - Organic oxygen compound - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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

• Solubility: Soluble in water (partly miscible).
• Refractive Index: n20D1.60 (Predicted)
• Boil Point(°C): 291.79° C at 760 mmHg (Predicted)
• Melt Point(°C): 67-69° C (lit.)
• Molecular Weight: 137.180 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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. Qiang Hou, Yali Wang, Jian Hu, Jianxiong Zhang, Caihua Zhang, Wang Song, Xuesong Wang, Baiqin Zheng, Xin Zhou.  (2024)  Simultaneous determination of phenothiazine drugs and their metabolites residues in animal derived foods by high performance liquid chromatography tandem mass spectrometry.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2024.110799]