1-Acetylpiperazine - ≥99% , CAS No.13889-98-0

CAS: 13889-98-0 Cat. No.: A111059 Summenformel: C₆H₁₂N₂O Molekulargewicht: 128.17 Beilstein Registry Number: 112220 EG-Nummer: 237-659-0

QUALITÄT & REINHEIT ≥99%

Synonyms

1-piperazin-1-ylethanone | 1-piperazin-1-yl-ethanone | NSC 39649 | (piperazin-1-yl)ethanone | 1-N-acetylpiperazine | 1-acetylpiperzine | 4-acetylpiperizine | InChI=1/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3 | PKDPUENCROCRCH-UHFFFAOYSA- | 2-(2,4-dioxo-1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

1-Acetylpiperazine may be used in the synthesis of series of 7-alkoxyl substituted indolizinoquinoline-5,12-dione derivatives and 2-substituted-N-(naphth-1-ylmethyl)-pyrimidin-4-amines and 2-substituted-N-benzhydrylpyrimidin-4-amines.

Spezifikationen

Synonyme

1-piperazin-1-ylethanone | 1-piperazin-1-yl-ethanone | NSC 39649 | (piperazin-1-yl)ethanone | 1-N-acetylpiperazine | 1-acetylpiperzine | 4-acetylpiperizine | InChI=1/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3 | PKDPUENCROCRCH-UHFFFAOYSA- | 2-(2,4-dioxo-1

Spezifikationen & Reinheit

≥99%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

508807294

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807294

Kanonisches Lächeln

CC(=O)N1CCNCC1

IUPAC Name

1-piperazin-1-ylethanone

InChIKey

PKDPUENCROCRCH-UHFFFAOYSA-N

INCHI

1S/C6H12N2O/c1-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3

Isomere SMILES

CC(=O)N1CCNCC1

WGK Deutschland

3

Molekulargewicht

128.17

Beilstein

112220

Reaxy-Rn

112220

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112220&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperazines
• Alternative Parents: Tertiary carboxylic acid amides Acetamides Amino acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine - Tertiary carboxylic acid amide - Acetamide - Amino acid or derivatives - Carboxamide group - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as piperazines. These are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic,Air Sensitive
• Gefrierpunkt (°C): 31 °C
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): ＞110℃
• Schmelzpunkt (°C): 31-34°C
• Molekulargewicht: 128.169 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.095 Da
• Monoisotopic Mass: 128.095 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 108.000
• 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