1-Methylpiperazine - ≥99% , CAS No.109-01-3

CAS: 109-01-3 Cat. No.: M108683 Formule: C₅H₁₂N₂ Poids moléculaire: 100.16 Beilstein Registry Number: 102724 Numéro CE: 203-639-5

QUALITÉ & PURETÉ ≥99%

Synonyms

InChI=1/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H | N-(methyl)piperazine | STK506426 | Z57834041 | NSC30195 | NSC-30195 | SCHEMBL1363 | EC 203-639-5 | STR00448 | 1-Methylpiperazine, 99% | BCP29604 | 1-Methylpiperazine | 1-Methyl-piperazine | 4-methylpiperazin

Storage

Room temperature,Desiccated

Shipped In

Normal

Spécifications

Synonymes

InChI=1/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H | N-(methyl)piperazine | STK506426 | Z57834041 | NSC30195 | NSC-30195 | SCHEMBL1363 | EC 203-639-5 | STR00448 | 1-Methylpiperazine, 99% | BCP29604 | 1-Methylpiperazine | 1-Methyl-piperazine | 4-methylpiperazin

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504753673

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753673

Sourires canoniques

CN1CCNCC1

IUPAC Name

1-methylpiperazine

InChIKey

PVOAHINGSUIXLS-UHFFFAOYSA-N

INCHI

1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3

Isomères SMILES

CN1CCNCC1

WGK Allemagne

2

RTECS

TM1225000

Numéro ONU

2734

Groupe d'emballage

II

Poids moléculaire

100.16

Beilstein

102724

Reaxy-Rn

102724

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102724&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines
        • Level5 N-alkylpiperazines
          • Level6 N-methylpiperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: N-alkylpiperazines
• Direct Parent: N-methylpiperazines
• Alternative Parents: Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-methylpiperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-methylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries a methyl group.
• 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

Cibles associées (non humaines)

Aspergillus nidulans (364 Activities)

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Aspergillus flavus (8875 Activities)

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Pichia kudriavzevii (7448 Activities)

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Candida albicans (78123 Activities)

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Nakaseomyces glabratus (9108 Activities)

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Candida parapsilosis (8521 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solubility in water: Completely miscible
• Sensibilité: Hygroscopic
• Indice de réfraction: 1.4655
• Point d'éclair (°F): 107.6℉
• Point d'éclair (°C): 42℃
• Point d'ébullition (°C): 138°C
• Point de fusion (°C): -6.4°C
• Poids moléculaire: 100.160 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.1 Da
• Monoisotopic Mass: 100.1 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 48.000
• 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