4-Methoxybenzohydrazide - ≥98% , CAS No.3290-99-1

CAS: 3290-99-1 Cat. No.: M158283 분자식: C₈H₁₀N₂O₂ 분자량: 166.18 Beilstein Registry Number: 10(4)454 EC 번호: 221-952-5

GRADE & PURITY ≥98%

Synonyms

4-Methoxybenzoic hydrazide | Oprea1_578754 | Benzoic acid, 4-methoxy-, hydrazide | p-Anisic acid hydrazide | Q27256258 | Oprea1_834050 | p-methoxybenzhydrazide | 2-Thienyl phenyl ketone | SCHEMBL407188 | 4-Methoxybenzohydrazide # | 4-Methoxybenzoyl hydraz

Storage

Room temperature

Shipped In

Normal

개요

Usually used to synthesize N′-[(E)-5-bromo-2-hydroxy-3-methoxybenzylidene]-4-methoxybenzohydrazide monohydrate,2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole,hydrazone ligands, which readily forms ruthenium(II) hydrazone complexes via reaction with [RuHCl(CO)(PPh3)3].

Specifications

동의어

4-Methoxybenzoic hydrazide | Oprea1_578754 | Benzoic acid, 4-methoxy-, hydrazide | p-Anisic acid hydrazide | Q27256258 | Oprea1_834050 | p-methoxybenzhydrazide | 2-Thienyl phenyl ketone | SCHEMBL407188 | 4-Methoxybenzohydrazide # | 4-Methoxybenzoyl hydraz

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488185332
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185332
• 정식 스마일: COC1=CC=C(C=C1)C(=O)NN
• IUPAC Name: 4-methoxybenzohydrazide
• InChIKey: REKQLYUAUXYJSZ-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
• 이성체 SMILES: COC1=CC=C(C=C1)C(=O)NN
• WGK 독일: 3
• RTECS: BZ4800000
• 분자량: 166.18
• Beilstein: 10(4)454
• Reaxy-Rn: 389017
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=389017&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Carboxylic acid hydrazides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxylic acid hydrazide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
• 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)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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CTSB Tchem Cathepsin B (3822 Activities)

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CTSH Tchem Cathepsin H (179 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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microRNA 21 (64692 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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관련 대상(비인간)

Mycobacterium tuberculosis (203094 Activities)

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Plasmodium falciparum (966862 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 감도: Air Sensitive
• 녹는점(°C): 138 °C
• 분자량: 166.180 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.074 Da
• Monoisotopic Mass: 166.074 Da
• Topological Polar Surface Area: 64.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 153.000
• 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