N-Phenylethanolamine - ≥98%(GC) , CAS No.122-98-5

CAS: 122-98-5 Cat. No.: N140440 Molecular Weight: 137.18 Beilstein Registry Number: 774672 EC Number: 204-588-1

GRADE & PURITY ≥98%(GC)

Synonyms

WLN: Q2MR | 4-12-00-00277 (Beilstein Handbook Reference) | AI3-02009 | MFCD00002832 | DTXSID8059550 | 2-ANILINOETHANOL | 2-anilino-ethanol | Aniline, N-(.beta.-hydroxyethyl)- | A0466 | NSC 8393 | Q15632814 | BIDD:GT0313 | EINECS 204-588-1 | EN300-20660 |

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

N-(2-Hydroxyethyl)aniline was employed as substrate for human olfactory UDP-glucuronosyltransferase.

N-Phenylethanolamine is used as an intermediate for dyes and other organic compounds. Further, it is used as a substrate for human olfactory uridine 5'-diphospho-glucuronosyltransferase.

Specifications

Synonyms

WLN: Q2MR | 4-12-00-00277 (Beilstein Handbook Reference) | AI3-02009 | MFCD00002832 | DTXSID8059550 | 2-ANILINOETHANOL | 2-anilino-ethanol | Aniline, N-(.beta.-hydroxyethyl)- | A0466 | NSC 8393 | Q15632814 | BIDD:GT0313 | EINECS 204-588-1 | EN300-20660 |

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488183141
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183141
• Canonical Smiles: C1=CC=C(C=C1)NCCO
• IUPAC Name: 2-anilinoethanol
• InChIKey: MWGATWIBSKHFMR-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2
• Isomeric SMILES: C1=CC=C(C=C1)NCCO
• WGK Germany: 2
• RTECS: KJ7175000
• Molecular Weight: 137.18
• Beilstein: 774672
• Reaxy-Rn: 774672
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774672&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary amine - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly miscible with water
• Sensitivity: air ,light sensitive
• Refractive Index: 1.5785
• Flash Point(°F): 307°F
• Flash Point(°C): 163°C
• Boil Point(°C): 284-286°C
• Melt Point(°C): -30°C
• Molecular Weight: 137.180 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 79.300
• 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. Yu Wang, Lingqi Shen, Yuan Yan, Bincheng Gong, Kexian Chen, Guohua Zhu, Zuguang Li.  (2024)  Ultrasound assisted upper critical solution temperature type switchable deep eutectic solvent based liquid-liquid microextraction for the determination of triazole in water.  ANALYTICA CHIMICA ACTA,      [PMID:39266195] [10.1016/j.aca.2024.343172]

2. Wang Wangxia, Wang Haoran, Niu Xiuxue, Wei Youhang, Cai Zhaosheng, Jiang Bo, Gu Feng, Zhu J. Y..  (2025)  Tough flame-retardant wood fabrication via lignin reassembly.  WOOD SCIENCE AND TECHNOLOGY,  59  (6): (1-18).  [PMID:] [10.1007/s00226-025-01717-8]