2,2-Diphenylacetohydrazide , CAS No.6636-02-8

CAS: 6636-02-8 Cat. No.: D668167 分子式: C₁₄H₁₄N₂O 分子量: 226.27 PubChem CID: 226139

Synonyms

2,2-diphenylacetohydrazide | NSC16288 | diphenylacetic acid hydrazide | Oprea1_282061 | Oprea1_372792 | Diphenylacetic acid, hydrazide | Mr-I-179 | DTXSID50280299 | YBBSKAGTEPBSNK-UHFFFAOYSA-N | BDBM233140 | BBL014255 | MFCD00544954 | NSC-16288 | STK04077

Storage

Room temperature

仕様

同義語

2,2-diphenylacetohydrazide | NSC16288 | diphenylacetic acid hydrazide | Oprea1_282061 | Oprea1_372792 | Diphenylacetic acid, hydrazide | Mr-I-179 | DTXSID50280299 | YBBSKAGTEPBSNK-UHFFFAOYSA-N | BDBM233140 | BBL014255 | MFCD00544954 | NSC-16288 | STK04077

保管条件

Room temperature

製品の性質

ALogP

2.1

名前と識別子

カノニカル・スマイル

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

IUPAC Name

2,2-diphenylacetohydrazide

InChIKey

YBBSKAGTEPBSNK-UHFFFAOYSA-N

INCHI

1S/C14H14N2O/c15-16-14(17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,16,17)

異性体SMILES

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

PubChem CID

226139

分子量

226.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylacetamides Carboxylic acid hydrazides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - 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 diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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）

CTSD Tchem Cathepsin D (1 Activities)

Discover Target: CTSD

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CTSD Tchem Cathepsin D (3201 Activities)

Discover Target: CTSD

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

• 分子量: 226.270 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.111 Da
• Monoisotopic Mass: 226.111 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 225.000
• 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