Budralazine - ≥97% , CAS No.36798-79-5

CAS: 36798-79-5 Cat. No.: B354991 분자식: C₁₄H₁₆N₄ 분자량: 240.3

GRADE & PURITY ≥97%

Synonyms

4-Methyl-3-Penten-2-one 2-(1-phthalazinyl)hydrazone | 1(2H)-Phthalazinone (1,3-Dimethyl-2-butenylidene)hydrazone Buterazine

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

4-Methyl-3-Penten-2-one 2-(1-phthalazinyl)hydrazone | 1(2H)-Phthalazinone (1,3-Dimethyl-2-butenylidene)hydrazone Buterazine

사양 및 순도

≥97%

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥97%

이름과 식별자

• Pubchem Sid: 504764115
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764115
• 정식 스마일: CC(=CC(=NNC1=NN=CC2=CC=CC=C21)C)C
• IUPAC Name: N-[(E)-4-methylpent-3-en-2-ylideneamino]phthalazin-1-amine
• InChIKey: DQGFCLJXYFXXIJ-LFIBNONCSA-N
• INCHI: 1S/C14H16N4/c1-10(2)8-11(3)16-18-14-13-7-5-4-6-12(13)9-15-17-14/h4-9H,1-3H3,(H,17,18)/b16-11+
• 이성체 SMILES: CC(=C/C(=N/NC1=NN=CC2=CC=CC=C21)/C)C
• 분자량: 240.3
• Reaxy-Rn: 748282
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=748282&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phthalazines
• Alternative Parents: Pyridazines and derivatives Imidolactams Benzenoids Heteroaromatic compounds Hydrazones Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalazine - Imidolactam - Benzenoid - Pyridazine - Heteroaromatic compound - Azacycle - Hydrazone - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.
• 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

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive
• 녹는점(°C): 128-130° C
• 분자량: 240.300 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 240.137 Da
• Monoisotopic Mass: 240.137 Da
• Topological Polar Surface Area: 50.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 331.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1