4-Hydroxydiphenylamine - ≥98%(HPLC) , CAS No.122-37-2

CAS: 122-37-2 Cat. No.: H157164 Summenformel: C₁₂H₁₁NO Molekulargewicht: 185.23 Beilstein Registry Number: 13(3)1019 EG-Nummer: 204-538-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

A0470 | Phenol, p-anilino- | AMINE,DIPHENYL,4-HYDROXY | Phenol, 4-(phenylamino)- | p-Hydroxydiphenylamine | KG-0220 | VTI 1 | HMS1412B13 | DTXCID3017739 | N-(4-hydroxyphenyl)aniline | NSC 1543 | N-Phenyl-p-aminophenol | MFCD00020142 | 4-(Phenylamino)pheno

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

A0470 | Phenol, p-anilino- | AMINE,DIPHENYL,4-HYDROXY | Phenol, 4-(phenylamino)- | p-Hydroxydiphenylamine | KG-0220 | VTI 1 | HMS1412B13 | DTXCID3017739 | N-(4-hydroxyphenyl)aniline | NSC 1543 | N-Phenyl-p-aminophenol | MFCD00020142 | 4-(Phenylamino)pheno

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

488183131

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183131

Kanonisches Lächeln

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

IUPAC Name

4-anilinophenol

InChIKey

JTTMYKSFKOOQLP-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

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

RTECS

SJ6950000

Molekulargewicht

185.23

Beilstein

13(3)1019

Reaxy-Rn

511942

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511942&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: p-Aminophenols 1-hydroxy-2-unsubstituted benzenoids Secondary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-aminophenol - Aniline or substituted anilines - Aminophenol - 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

Zugehörige Ziele (menschlich)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

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

Discover Target: PPARG

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

Zugehörige Ziele (nicht menschlich)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 408°F
• Flammpunkt (°C): 209℃
• Siedepunkt (°C): 165°C/2mmHg
• Schmelzpunkt (°C): 66-71°C
• Molekulargewicht: 185.220 g/mol
• XLogP3: 2.800
• 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: 158.000
• 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

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 should this product be stored?

Store at room temperature.

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 122-37-2, the molecular formula is C12H11NO, and the molecular weight is 185.23 g/mol. InChIKey JTTMYKSFKOOQLP-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.