2,5-Diethoxyterephthalohydrazide - ≥98% , CAS No.1136292-71-1

CAS: 1136292-71-1 Cat. No.: D299776 분자식: C₁₂H₁₈N₄O₄ 분자량: 282.3

GRADE & PURITY ≥98%

Synonyms

2,5-Diethoxybenzene-1,4-dicarbohydrazide

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

동의어

2,5-Diethoxybenzene-1,4-dicarbohydrazide

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504772783
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772783
• 정식 스마일: CCOC1=CC(=C(C=C1C(=O)NN)OCC)C(=O)NN
• IUPAC Name: 2,5-diethoxybenzene-1,4-dicarbohydrazide
• InChIKey: XSSPHNOJIAIZCR-UHFFFAOYSA-N
• INCHI: 1S/C12H18N4O4/c1-3-19-9-5-8(12(18)16-14)10(20-4-2)6-7(9)11(17)15-13/h5-6H,3-4,13-14H2,1-2H3,(H,15,17)(H,16,18)
• 이성체 SMILES: CCOC1=CC(=C(C=C1C(=O)NN)OCC)C(=O)NN
• 분자량: 282.3
• Reaxy-Rn: 29556859
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29556859&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 Phenol ethers Benzoyl derivatives Alkyl aryl ethers Carboxylic acid hydrazides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Carboxylic acid hydrazide - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

화학 및 물리적 특성

• 감도: light sensitive
• 분자량: 282.300 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 282.133 Da
• Monoisotopic Mass: 282.133 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 307.000
• 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