1-Boc-2-oxopiperazine - ≥95% , CAS No.889958-14-9

CAS: 889958-14-9 Cat. No.: B590577 Summenformel: C₉H₁₆N₂O₃ Molekulargewicht: 200.23 EG-Nummer: 812-996-1

GRADE & PURITY ≥95%

Synonyms

SCHEMBL1007140 | MFCD06797597 | 1-Boc-piperazine-2-one | 2-Oxo-piperazine-1-carboxylic acid tert-butyl ester | tert-Butyl 2-oxopiperazine-1-carboxylate | n-boc-piperazine-2-one | 1-Boc-2-oxopiperazine | AKOS016002375 | SY022676 | DTXSID50619121 | GS-6031

Storage

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

Shipped In

Wet ice

Specifications

Synonyme

SCHEMBL1007140 | MFCD06797597 | 1-Boc-piperazine-2-one | 2-Oxo-piperazine-1-carboxylic acid tert-butyl ester | tert-Butyl 2-oxopiperazine-1-carboxylate | n-boc-piperazine-2-one | 1-Boc-2-oxopiperazine | AKOS016002375 | SY022676 | DTXSID50619121 | GS-6031

Spezifikationen & Reinheit

≥95%

Storage

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

Verschickt in

Wet ice

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

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

508807230

Kanonisches Lächeln

CC(C)(C)OC(=O)N1CCNCC1=O

IUPAC Name

tert-butyl 2-oxopiperazine-1-carboxylate

InChIKey

SORUSJZOKKMNQS-UHFFFAOYSA-N

INCHI

1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-6-7(11)12/h10H,4-6H2,1-3H3

Isomere SMILES

CC(C)(C)OC(=O)N1CCNCC1=O

Alternative CAS-Nummer

889958-14-9

Molekulargewicht

200.23

Reaxy-Rn

15159226

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15159226&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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: Piperazine carboxylic acids Dicarboximides Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Piperazine-1-carboxylic acid - 1,4-diazinane - Piperazine - Dicarboximide - Carbamic acid ester - Secondary aliphatic amine - Azacycle - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Aliphatic heteromonocyclic compound
• Beschreibung: 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.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 200.230 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 200.116 Da
• Monoisotopic Mass: 200.116 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 245.000
• 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