3-Aminobenzyl Alcohol - ≥98%(GC) , CAS No.1877-77-6

CAS: 1877-77-6 Cat. No.: A151125 Molecular Weight: 123.16 Beilstein Registry Number: 2205840 EC Number: 217-514-8

GRADE & PURITY ≥98%(GC)

Synonyms

(3-aminophenyl) methan-1-ol | AB00514345-03 | FT-0615033 | Q27282343 | 3-(Hydroxymethyl)aniline | 3-Aminobenzyl alcohol, 97% | 7WG0AN693Y | W-107767 | 3-Amniobenzylalcohol | 6-Chloro-9-(tetrahydropyranyl)purine | (3-(HYDROXYMETHYL)PHENYL)AMINE | AKOS00012

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Product Application：

3-Aminobenzyl alcohol, is used as a reagent in the synthesis of quinone analogs as dynamin GTPase inhibitors. Also used as a reagent in the synthesis of pyrrolo[2,1-f][1,2,4]triazines as novel hedgehog signaling pathway inhibitors.

Specifications

Synonyms

(3-aminophenyl) methan-1-ol | AB00514345-03 | FT-0615033 | Q27282343 | 3-(Hydroxymethyl)aniline | 3-Aminobenzyl alcohol, 97% | 7WG0AN693Y | W-107767 | 3-Amniobenzylalcohol | 6-Chloro-9-(tetrahydropyranyl)purine | (3-(HYDROXYMETHYL)PHENYL)AMINE | AKOS00012

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488185838
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185838
• Canonical Smiles: C1=CC(=CC(=C1)N)CO
• IUPAC Name: (3-aminophenyl)methanol
• InChIKey: OJZQOQNSUZLSMV-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5,8H2
• Isomeric SMILES: C1=CC(=CC(=C1)N)CO
• WGK Germany: 3
• RTECS: DN3154450
• Molecular Weight: 123.16
• Beilstein: 2205840
• Reaxy-Rn: 2205844
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2205844&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 Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Benzyl alcohol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Air sensitive;light sensitive
• Melt Point(°C): 94 °C
• Molecular Weight: 123.150 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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. Yihan Wang, Xiang Chu, Hongrui Zhang, Cheng Yan, Guo Tian, Weiqing Yang, Xiangrong Chen, Haitao Zhang.  (2023)  Hyper-conjugated polyaniline delivering extraordinary electrical and electrochemical properties in supercapacitors.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2023.157350]

2. Zhou Jie, Yu Wen-Wang, Meng Xiang-Guang, Li Wen, Chu Dan-Dan.  (2025)  Imidazolium-Based Deep Eutectic Solvents Catalyzed Cycloaddition Reaction of Epoxide with CO2 in Simulated Flue Gas.  CATALYSIS LETTERS,  155  (10): (1-11).  [PMID:] [10.1007/s10562-025-05174-7]