2,2,2-trifluoro-N'-[(2Z)-piperazin-2-ylidene]acetohydrazide - ≥97% , CAS No.849832-73-1

CAS: 849832-73-1 Cat. No.: T634666 Molecular Weight: 210.16 EC Number: 616-320-4

GRADE & PURITY ≥97%

Synonyms

H9BUL69YLE | DTXSID50434513 | NSC18317 | SCHEMBL2853721 | 2,2,2-trifluoro-N'-(1,2,3,6-tetrahydropyrazin-5-yl)acetohydrazide | BCP9000911 | 2,2,2-Trifluoro-N'-(piperazin-2-ylidene)acetohydrazide | N'-[(2Z)-Piperazin-2-ylidene]trifluoroacetohydrazide | benz

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

H9BUL69YLE | DTXSID50434513 | NSC18317 | SCHEMBL2853721 | 2, 2, 2-trifluoro-N'-(1, 2, 3, 6-tetrahydropyrazin-5-yl)acetohydrazide | BCP9000911 | 2, 2, 2-Trifluoro-N'-(piperazin-2-ylidene)acetohydrazide | N'-[(2Z)-Piperazin-2-ylidene]trifluoroacetohydrazide | benz

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CN=C(CN1)NNC(=O)C(F)(F)F
• IUPAC Name: 2,2,2-trifluoro-N'-(1,2,3,6-tetrahydropyrazin-5-yl)acetohydrazide
• InChIKey: RKIDLJBEMIARHI-UHFFFAOYSA-N
• INCHI: 1S/C6H9F3N4O/c7-6(8,9)5(14)13-12-4-3-10-1-2-11-4/h10H,1-3H2,(H,11,12)(H,13,14)
• Isomeric SMILES: C1CN=C(CN1)NNC(=O)C(F)(F)F
• Alternate CAS: 763105-70-0,849832-73-1
• Molecular Weight: 210.16
• Reaxy-Rn: 62473755
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=62473755&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidolactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidolactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidolactams
• Alternative Parents: Carboxylic acid hydrazides Amino acids and derivatives Amidrazones Propargyl-type 1,3-dipolar organic compounds Dialkylamines Azacyclic compounds Amidines Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Imidolactam - Carboxylic acid amidrazone - Amino acid or derivatives - Carboxylic acid hydrazide - Amidine - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl halide - Organopnictogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidolactams. These are cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom.
• 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

Chemical and Physical Properties

• Molecular Weight: 210.160 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 210.073 Da
• Monoisotopic Mass: 210.073 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 250.000
• 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