Phenylacetic Hydrazide - ≥98%(GC) , CAS No.937-39-3

CAS: 937-39-3 Cat. No.: P160484 分子式: C₈H₁₀N₂O 分子量: 150.18 EC番号: 213-328-6 PubChem CID: 70301

GRADE & PURITY ≥98%(GC)

Synonyms

CCG-50896 | 2-(4-hydroxy-2,6-dimethylpyrimidin-5-yl)acetic acid | Benzeneacetic acid, hydrazide | DTXSID0061327 | NSC-31671 | Phenacetic acid hydrazide | 2-phenylacetic hydrazide | RS-1033 | Maybridge3_000946 | Phenylacetohydrazide | (+)-(1R,4S)-N-Boc-4-a

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

CCG-50896 | 2-(4-hydroxy-2,6-dimethylpyrimidin-5-yl)acetic acid | Benzeneacetic acid, hydrazide | DTXSID0061327 | NSC-31671 | Phenacetic acid hydrazide | 2-phenylacetic hydrazide | RS-1033 | Maybridge3_000946 | Phenylacetohydrazide | (+)-(1R,4S)-N-Boc-4-a

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488184516
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488184516
• カノニカル・スマイル: C1=CC=C(C=C1)CC(=O)NN
• IUPAC Name: 2-phenylacetohydrazide
• InChIKey: FPTCVTJCJMVIDV-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
• 異性体SMILES: C1=CC=C(C=C1)CC(=O)NN
• WGKドイツ: 3
• PubChem CID: 70301
• 分子量: 150.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Carboxylic acid hydrazides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
• 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

関連ターゲット（人間）

CTSB Tchem Cathepsin B (3822 Activities)

Discover Target: CTSB

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

CTSH Tchem Cathepsin H (179 Activities)

Discover Target: CTSH

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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 115-119 °C (lit.)
• 分子量: 150.180 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.079 Da
• Monoisotopic Mass: 150.079 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 130.000
• 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