4-[(E)-2-(4-Aminophenyl)ethenyl]phenol , CAS No.836-44-2

CAS: 836-44-2 Cat. No.: E668929 분자식: C₁₄H₁₃NO 분자량: 211.26 PubChem CID: 5375988

Synonyms

4-[(E)-2-(4-Aminophenyl)ethenyl]phenol | 4-(4-Aminostyryl)phenol | 4'-AMINO-4-HYDROXYSTILBENE | 4-AMINO-4'-HYDROXY STILBENE | 4-Amino-4'-hydroxystilbene | (E)-4'-Amino-4-stilbenol | 4-Stilbenol, 4'-amino-, (E)- | Stilbene derivative, 1 | 4-[(1E)-2-(4-Amin

Storage

Room temperature

Specifications

동의어

4-[(E)-2-(4-Aminophenyl)ethenyl]phenol | 4-(4-Aminostyryl)phenol | 4'-AMINO-4-HYDROXYSTILBENE | 4-AMINO-4'-HYDROXY STILBENE | 4-Amino-4'-hydroxystilbene | (E)-4'-Amino-4-stilbenol | 4-Stilbenol, 4'-amino-, (E)- | Stilbene derivative, 1 | 4-[(1E)-2-(4-Amin

보관 조건

Room temperature

제품 특성

• ALogP: 3.2

이름과 식별자

• 정식 스마일: C1=CC(=CC=C1C=CC2=CC=C(C=C2)O)N
• IUPAC Name: 4-[(E)-2-(4-aminophenyl)ethenyl]phenol
• InChIKey: HGDVTCNLNRCTHW-OWOJBTEDSA-N
• INCHI: 1S/C14H13NO/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,16H,15H2/b2-1+
• 이성체 SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)O)N
• PubChem CID: 5375988
• 분자량: 211.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Styrenes Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Styrene - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Amine - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

관련 대상(인간)

APP Tclin Amyloid-beta A4 protein (1 Activities)

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APP Tclin Amyloid-beta A4 protein (8510 Activities)

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BXPC-3 (2997 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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HEK293 (82097 Activities)

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ASPC1 (1310 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 분자량: 211.260 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.1 Da
• Monoisotopic Mass: 211.1 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 223.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

How should this product be stored?

Store at room temperature.

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

The CAS Number is 836-44-2, the molecular formula is C14H13NO, and the molecular weight is 211.26 g/mol. InChIKey HGDVTCNLNRCTHW-OWOJBTEDSA-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.