3-Diethylaminophenol - ≥97% , CAS No.91-68-9

CAS: 91-68-9 Cat. No.: D106258 Summenformel: C₁₀H₁₅NO Molekulargewicht: 165.23 Beilstein Registry Number: 908212 EG-Nummer: 202-090-9

GRADE & PURITY ≥97%

Synonyms

Phenol, 3-(diethylamino)- | 3-Hydroxy-N,N-diethylaniline | 3-(N,N-diethlyamino)phenol | A860259 | DTXCID205037 | NCGC00257792-01 | NSC93934 | NSC-93934 | O0Y | 3-diethylaminophenol; N,N-Diethyl-3-aminophenol | NSC 93934 | 3-(Diethylamino) Phenol | CCG-357

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

3-Diethylaminophenol is raw material required for the synthesis of Rhodamine derivatives。

3-Diethylaminophenol was used as starting reagent for the synthesis of silyloxyaniline. It was used in the synthesis of Nile Red and its hydroxy-derivative.

Specifications

Synonyme

Phenol, 3-(diethylamino)- | 3-Hydroxy-N,N-diethylaniline | 3-(N,N-diethlyamino)phenol | A860259 | DTXCID205037 | NCGC00257792-01 | NSC93934 | NSC-93934 | O0Y | 3-diethylaminophenol; N,N-Diethyl-3-aminophenol | NSC 93934 | 3-(Diethylamino) Phenol | CCG-357

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504751239

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751239

Kanonisches Lächeln

CCN(CC)C1=CC(=CC=C1)O

IUPAC Name

3-(diethylamino)phenol

InChIKey

WAVOOWVINKGEHS-UHFFFAOYSA-N

INCHI

1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3

Isomere SMILES

CCN(CC)C1=CC(=CC=C1)O

WGK Deutschland

3

RTECS

SL0550500

UN-Nummer

2512

Verpackungsgruppe

III

Molekulargewicht

165.23

Beilstein

908212

Reaxy-Rn

908212

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=908212&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Tertiary alkylarylamines
            • Ebene7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: m-Aminophenols Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-aminophenol - Aniline or substituted anilines - Dialkylarylamine - Aminophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

Zugehörige Ziele (menschlich)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Flammpunkt (°F): 285.8 °F
• Flammpunkt (°C): 141 °C
• Siedepunkt (°C): 170 °C/15 mmHg
• Schmelzpunkt (°C): 72.0-75.0°C
• Molekulargewicht: 165.230 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 165.115 Da
• Monoisotopic Mass: 165.115 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 123.000
• 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