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

CAS: 122-98-5 Cat. No.: N140440 Formula: C₈H₁₁NO Peso molecolare: 137.18 Beilstein Registry Number: 774672 Numero EC: 204-588-1

QUALITÀ & PUREZZA ≥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

Normale

Panoramica

La N-(2-idrossietil)anilina è stata impiegata come substrato per l'UDP-glucuronosiltransferasi olfattiva umana.

La N-feniletanolamina è utilizzata come intermedio per coloranti e altri composti organici. Inoltre, viene utilizzata come substrato per l'uridina 5'-difosfo-glucuronosiltransferasi olfattiva umana.

Specifiche

Sinonimi

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 |

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normale

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488183141

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183141

Sorrisi canonici

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

Isomeri SMILES

C1=CC=C(C=C1)NCCO

WGK Germania

2

RTECS

KJ7175000

Peso molecolare

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
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly miscible with water
• Sensibilità: air ,light sensitive
• Indice di rifrazione: 1.5785
• Punto di infiammabilità (°F): 307°F
• Punto di infiammabilità (°C): 163°C
• Punto di ebollizione (°C): 284-286°C
• Punto di fusione (°C): -30°C
• Peso molecolare: 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