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4-acetylpiperazin-2-one - 97%, high purity , CAS No.17796-61-1
Discover 4-acetylpiperazin-2-one by Aladdin Scientific in 97% for only $4,518.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-acetylpiperazin-2-one | 17796-61-1 | 4-acetyl-2-Piperazinone | 4-Acetyl-Piperazin-2-One | 2-Piperazinone, 4-acetyl- | MFCD17270431 | PW3 | 4-acetylpiperazinone | SCHEMBL3907606 | ISNPMTVERREURB-UHFFFAOYSA-N | DTXSID301313922 | AMY34922 | AKOS008930826 | SB23154 | AS-53093 | SY100426
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Piperazines Tertiary carboxylic acid amides Acetamides Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Acetamide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
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.
Names and Identifiers
IUPAC Name
4-acetylpiperazin-2-one
INCHI
InChI=1S/C6H10N2O2/c1-5(9)8-3-2-7-6(10)4-8/h2-4H2,1H3,(H,7,10)
InChIKey
ISNPMTVERREURB-UHFFFAOYSA-N
Smiles
CC(=O)N1CCNC(=O)C1
Isomeric SMILES
CC(=O)N1CCNC(=O)C1
Molecular Weight
142.158
Reaxy-Rn
743370
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=743370&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
142.160 g/mol
XLogP3
-1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
142.074 Da
Monoisotopic Mass
142.074 Da
Topological Polar Surface Area
49.400 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
167.000
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
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