3-Hydroxydiphenylamine - ≥98%(HPLC) , CAS No.101-18-8

CAS: 101-18-8 Cat. No.: H157165 Summenformel: C₁₂H₁₁NO Molekulargewicht: 185.23 Beilstein Registry Number: 13(2)213 EG-Nummer: 689-700-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-(Phenylamino)phenol | 3-Anilinophenol | FT-0615840 | N-(3-Hydroxyphenyl)aniline | AMINE,DIPHENYL,3-HYDROXY | E39Q946GO3 | Q27276822 | AC-10894 | CAS-101-18-8 | NCGC00091603-01 | Tox21_200308 | CHEBI:188941 | EINECS 202-923-6 | AKOS005216959 | MLS0021528

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

3-(Phenylamino)phenol | 3-Anilinophenol | FT-0615840 | N-(3-Hydroxyphenyl)aniline | AMINE,DIPHENYL,3-HYDROXY | E39Q946GO3 | Q27276822 | AC-10894 | CAS-101-18-8 | NCGC00091603-01 | Tox21_200308 | CHEBI:188941 | EINECS 202-923-6 | AKOS005216959 | MLS0021528

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C(C=C1)NC2=CC(=CC=C2)O

IUPAC Name

3-anilinophenol

InChIKey

NDACNGSDAFKTGE-UHFFFAOYSA-N

INCHI

1S/C12H11NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-9,13-14H

Isomere SMILES

C1=CC=C(C=C1)NC2=CC(=CC=C2)O

UN-Nummer

2512

Verpackungsgruppe

III

Molekulargewicht

185.23

Beilstein

13(2)213

Reaxy-Rn

2092957

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2092957&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: m-Aminophenols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Secondary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-aminophenol - Aniline or substituted anilines - Aminophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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Lymphoblastoid cell (5959 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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RACGAP1 Tbio Rac GTPase-activating protein 1 (2057 Activities)

Discover Target: RACGAP1

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Plasmodium falciparum (966862 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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Luciferin 4-monooxygenase (66902 Activities)

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

Discover Target: Nfe2l2

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 185.220 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.084 Da
• Monoisotopic Mass: 185.084 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 166.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 101-18-8, the molecular formula is C12H11NO, and the molecular weight is 185.23 g/mol. InChIKey NDACNGSDAFKTGE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.