(1,4-Dimethylpiperazin-2-yl)methanol - ≥95% , CAS No.14675-44-6

CAS: 14675-44-6 Cat. No.: D1069862 Summenformel: C₇H₁₆N₂O Molekulargewicht: 144.21 PubChem CID: 2779170

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CN1CCN(C(C1)CO)C

IUPAC Name

(1,4-dimethylpiperazin-2-yl)methanol

InChIKey

ZEHZRJZZIYNPKU-UHFFFAOYSA-N

INCHI

1S/C7H16N2O/c1-8-3-4-9(2)7(5-8)6-10/h7,10H,3-6H2,1-2H3

Isomere SMILES

CN1CCN(C(C1)CO)C

PubChem CID

2779170

Molekulargewicht

144.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines
        • Ebene5 N-alkylpiperazines
          • Ebene6 N-methylpiperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: N-alkylpiperazines
• Direct Parent: N-methylpiperazines
• Alternative Parents: 1,3-aminoalcohols Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-methylpiperazine - 1,3-aminoalcohol - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 144.210 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.126 Da
• Monoisotopic Mass: 144.126 Da
• Topological Polar Surface Area: 26.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1