3-Hydrazinylbenzohydrazide , CAS No.379254-47-4

CAS: 379254-47-4 Cat. No.: H1246861 분자식: C₇H₁₀N₄O 분자량: 166.18

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Specifications

보관 조건

Room temperature

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이름과 식별자

• 정식 스마일: C1=CC(=CC(=C1)NN)C(=O)NN
• IUPAC Name: 3-hydrazinylbenzohydrazide
• InChIKey: RRRMGVNSJNONJZ-UHFFFAOYSA-N
• INCHI: 1S/C7H10N4O/c8-10-6-3-1-2-5(4-6)7(12)11-9/h1-4,10H,8-9H2,(H,11,12)
• 분자량: 166.18

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: Phenylhydrazines Benzoyl derivatives Carboxylic acid hydrazides Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Phenylhydrazine - Benzoyl - Carboxylic acid hydrazide - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Hydrazine derivative - 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

화학 및 물리적 특성

• 분자량: 166.180 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 166.085 Da
• Monoisotopic Mass: 166.085 Da
• Topological Polar Surface Area: 93.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 161.000
• 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