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

CAS: 122-98-5 Cat. No.: N140440 Formule: C₈H₁₁NO Poids moléculaire: 137.18 Beilstein Registry Number: 774672 Numéro CE: 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

Room temperature,Argon charged

Shipped In

Normal

Vue d’ensemble

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

Synonymes

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 |

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488183141

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1=CC=C(C=C1)NCCO

WGK Allemagne

2

RTECS

KJ7175000

Poids moléculaire

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
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Slightly miscible with water
• Sensibilité: air ,light sensitive
• Indice de réfraction: 1.5785
• Point d'éclair (°F): 307°F
• Point d'éclair (°C): 163°C
• Point d'ébullition (°C): 284-286°C
• Point de fusion (°C): -30°C
• Poids moléculaire: 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