(±)-trans-1-Allyl-2,5-dimethylpiperazine - ≥97% , CAS No.155766-33-9

CAS: 155766-33-9 Cat. No.: x167557 Peso molecular: 154.25 Número EC: 623-695-8 PubChem CID: 10534891

GRADE & PURITY ≥97%

Synonyms

MFCD09753425 | (+/-)-trans-1-Allyl-2,5-dimethylpiperazine, 97% | SCHEMBL231228 | (2R,5S)-2,5-DIMETHYL-1-(PROP-2-EN-1-YL)PIPERAZINE | (2R,5S)-1-Allyl-2,5-dimethylpiperazine | DTXSID401235781 | (2R,5S)-2,5-dimethyl-1-prop-2-enylpiperazine | (2R, 5S)-1-allyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD09753425 | (+/-)-trans-1-Allyl-2, 5-dimethylpiperazine, 97% | SCHEMBL231228 | (2R, 5S)-2, 5-DIMETHYL-1-(PROP-2-EN-1-YL)PIPERAZINE | (2R, 5S)-1-Allyl-2, 5-dimethylpiperazine | DTXSID401235781 | (2R, 5S)-2, 5-dimethyl-1-prop-2-enylpiperazine | (2R, 5S)-1-allyl

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1CNC(CN1CC=C)C
• IUPAC Name: (2R,5S)-2,5-dimethyl-1-prop-2-enylpiperazine
• InChIKey: VKUXNUOPPQWDMV-DTWKUNHWSA-N
• INCHI: 1S/C9H18N2/c1-4-5-11-7-8(2)10-6-9(11)3/h4,8-10H,1,5-7H2,2-3H3/t8-,9+/m0/s1
• Isómeros SMILES: C[C@@H]1CN[C@H](CN1CC=C)C
• WGK Alemania: 3
• PubChem CID: 10534891
• Peso molecular: 154.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpiperazines
• Alternative Parents: Trialkylamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpiperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl 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

Propiedades químicas y físicas

• Punto de inflamación (°F): 136.4 °F
• Punto de inflamación (°C): 58 °C
• Peso molecular: 154.250 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.147 Da
• Monoisotopic Mass: 154.147 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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