N-Ethylaniline - ≥99% , CAS No.103-69-5

CAS: 103-69-5 Cat. No.: E103974 Summenformel: C₈H₁₁N Molekulargewicht: 121.18 Beilstein Registry Number: 12159 EG-Nummer: 203-135-5

GRADE & PURITY ≥99%

Synonyms

ETHYLANILINE, N- | InChI=1/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H | N-Ethyl-N-phenylamine | UN2272 | F2190-0406 | CCRIS 4641 | CHEBI:34870 | ethylanilines | N-Ethylbenzeneamino | Q1959590 | W-108842 | NCGC00091714-03 | N-Ethylaniline-d5 | NSC 8736 | A

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyme

ETHYLANILINE, N- | InChI=1/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H | N-Ethyl-N-phenylamine | UN2272 | F2190-0406 | CCRIS 4641 | CHEBI:34870 | ethylanilines | N-Ethylbenzeneamino | Q1959590 | W-108842 | NCGC00091714-03 | N-Ethylaniline-d5 | NSC 8736 | A

Spezifikationen & Reinheit

≥99%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

FedEx DG Service

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

488180520

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180520

Kanonisches Lächeln

CCNC1=CC=CC=C1

IUPAC Name

N-ethylaniline

InChIKey

OJGMBLNIHDZDGS-UHFFFAOYSA-N

INCHI

1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

Isomere SMILES

CCNC1=CC=CC=C1

WGK Deutschland

1

RTECS

BX9780000

UN-Nummer

2272

Verpackungsgruppe

III

Molekulargewicht

121.18

Beilstein

12159

Reaxy-Rn

507468

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507468&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Aralkylamines
          • Ebene6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Secondary amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: 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: benzenes

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

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CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water, miscible in alcohol and ether.
• Empfindlichkeit: Light & air sensitive.
• Brechungsindex: 1.554
• Flammpunkt (°F): 185 °F
• Flammpunkt (°C): 85℃
• Siedepunkt (°C): 204.5°C
• Schmelzpunkt (°C): -63.5°C
• Molekulargewicht: 121.180 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 121.089 Da
• Monoisotopic Mass: 121.089 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 65.000
• 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