1-(2-Dimethylaminoethyl)-4-methylpiperazine - ≥98%(GC) , CAS No.104-19-8

CAS: 104-19-8 Cat. No.: D154306 Molecular Weight: 171.29 EC Number: 203-183-7

GRADE & PURITY ≥98%(GC)

Synonyms

ETHANAMINE,N,N-DIMETHYL(4-METHYL-1-PIPERAZINYL)- | N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine | 1-Piperazineethanamine, N,N,4-trimethyl- | 1-Piperazineethanamine,N,4-trimethyl- | 1-Piperazineethanamine,N,N,4-trimethyl- | AKOS022300257 | N,N-Dimethy

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

ETHANAMINE, N, N-DIMETHYL(4-METHYL-1-PIPERAZINYL)- | N, N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine | 1-Piperazineethanamine, N, N, 4-trimethyl- | 1-Piperazineethanamine, N, 4-trimethyl- | 1-Piperazineethanamine, N, N, 4-trimethyl- | AKOS022300257 | N, N-Dimethy

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504754104
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754104
• Canonical Smiles: CN1CCN(CC1)CCN(C)C
• IUPAC Name: N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
• InChIKey: XFLSMWXCZBIXLV-UHFFFAOYSA-N
• INCHI: 1S/C9H21N3/c1-10(2)4-7-12-8-5-11(3)6-9-12/h4-9H2,1-3H3
• Isomeric SMILES: CN1CCN(CC1)CCN(C)C
• RTECS: TL6125000
• Molecular Weight: 171.29
• Reaxy-Rn: 106624
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106624&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: N-alkylpiperazines
• Direct Parent: N-methylpiperazines
• Alternative Parents: Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-methylpiperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - 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

Chemical and Physical Properties

• Solubility: Solubility in water: Completely miscible; Soluble in Toluene,dichloromethane
• Refractive Index: 1.46
• Flash Point(°F): 100°C(lit.)
• Flash Point(°C): 100°C(lit.)
• Boil Point(°C): 96 °C/12 mmHg
• Molecular Weight: 171.280 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.174 Da
• Monoisotopic Mass: 171.174 Da
• Topological Polar Surface Area: 9.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 117.000
• 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