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

CAS: 122-98-5 Cat. No.: N140440 Fórmula: C₈H₁₁NO Peso molecular: 137.18 Beilstein Registry Number: 774672 Número EC: 204-588-1

CALIDAD & PUREZA ≥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

Room temperature,Argon charged

Shipped In

Normal

Descripción general

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.

Especificaciones

Sinónimos

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 |

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488183141

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

C1=CC=C(C=C1)NCCO

WGK Alemania

2

RTECS

KJ7175000

Peso molecular

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly miscible with water
• Sensibilidad: air ,light sensitive
• Índice de refracción: 1.5785
• Punto de inflamación (°F): 307°F
• Punto de inflamación (°C): 163°C
• Punto de ebullición (°C): 284-286°C
• Punto de fusión (°C): -30°C
• Peso molecular: 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