1,2-DIBENZOYL-1-METHYLHYDRAZINE , CAS No.21150-15-2

CAS: 21150-15-2 Cat. No.: D168547 Molecular Weight: 254.291 EC Number: 654-504-6

Synonyms

1,2-Dibenzoyl-1-methylhydrazine|21150-15-2|N'-Benzoyl-N'-methylbenzohydrazide|CHEMBL27602|N'-Benzoyl-N-methylbenzohydrazide|NSC402250|Benzoic acid N'-benzoyl-N'-methyl-h|SCHEMBL10449073|DTXSID40311021|QPHPEPMDRYADGQ-UHFFFAOYSA-N|WAA15015|BDBM50488491|NSC2

Storage

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Shipped In

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Specifications

Synonyms

1, 2-Dibenzoyl-1-methylhydrazine | 21150-15-2 | N'-Benzoyl-N'-methylbenzohydrazide | CHEMBL27602 | N'-Benzoyl-N-methylbenzohydrazide | NSC402250 | Benzoic acid N'-benzoyl-N'-methyl-h | SCHEMBL10449073 | DTXSID40311021 | QPHPEPMDRYADGQ-UHFFFAOYSA-N | WAA15015 | BDBM50488491 | NSC2

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CN(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2
• IUPAC Name: N'-benzoyl-N'-methylbenzohydrazide
• InChIKey: QPHPEPMDRYADGQ-UHFFFAOYSA-N
• INCHI: 1S/C15H14N2O2/c1-17(15(19)13-10-6-3-7-11-13)16-14(18)12-8-4-2-5-9-12/h2-11H,1H3,(H,16,18)
• Isomeric SMILES: CN(C(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2
• Molecular Weight: 254.291
• Reaxy-Rn: 2054741
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2054741&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Carboxylic acid hydrazides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: 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

Associated Targets(non-human)

EcR Ecdysone receptor (102 Activities)

Discover Target: EcR

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 254.280 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 254.106 Da
• Monoisotopic Mass: 254.106 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 318.000
• 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