1-methylpiperazin-2-one - ≥97% , CAS No.59702-07-7

CAS: 59702-07-7 Cat. No.: M176891 Formula: C₅H₁₀N₂O Peso molecolare: 114.15 Numero EC: 696-637-2

QUALITÀ & PUREZZA ≥97%

Synonyms

AM20100457 | F1618-0605 | FT-0646804 | 1-methyl-2-oxopiperazine | BS-12928 | EN300-83353 | J-505004 | 1-Methyl-2-piperazinone | 1-methylpiperazin-2-one, AldrichCPR | methylpiperazin-2-one | Piperazinone, 1-methyl- | BCP23187 | KJCIMSSFGUGTGA-UHFFFAOYSA-N

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifiche

Sinonimi

AM20100457 | F1618-0605 | FT-0646804 | 1-methyl-2-oxopiperazine | BS-12928 | EN300-83353 | J-505004 | 1-Methyl-2-piperazinone | 1-methylpiperazin-2-one, AldrichCPR | methylpiperazin-2-one | Piperazinone, 1-methyl- | BCP23187 | KJCIMSSFGUGTGA-UHFFFAOYSA-N

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

528754674

Sorrisi canonici

CN1CCNCC1=O

IUPAC Name

1-methylpiperazin-2-one

InChIKey

KJCIMSSFGUGTGA-UHFFFAOYSA-N

INCHI

1S/C5H10N2O/c1-7-3-2-6-4-5(7)8/h6H,2-4H2,1H3

Isomeri SMILES

CN1CCNCC1=O

Peso molecolare

114.15

Reaxy-Rn

742091

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742091&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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: N-methylpiperazines Tertiary carboxylic acid amides Lactams Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary aliphatic amine - Secondary amine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Punto di infiammabilità (°C): 100 °C
• Punto di ebollizione (°C): 104 °C/4 mmHg
• Peso molecolare: 114.150 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.079 Da
• Monoisotopic Mass: 114.079 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• 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