trans-2,5-Dimethylpiperazine - ≥98%(GC) , CAS No.2815-34-1

CAS: 2815-34-1 Cat. No.: T138605 Molecular Weight: 114.19 Beilstein Registry Number: 23,19 EC Number: 629-352-9

GRADE & PURITY ≥98%(GC)

Synonyms

(2R,5S)-2,5-dimethylpiperazine | (2R,5S)-2,5-DIMETHYL-PIPERAZINE | J-016991 | REL-(2R,5S)-2,5-DIMETHYLPIPERAZINE | 2,5-Dimethylpiperazine (trans) | NSC3708 | NSC-3708 | F12545 | trans-2,5 dimethylpiperazine | 2,5-Dimethylpiperazine, meso- | InChI=1/C6H14N

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

(2R, 5S)-2, 5-dimethylpiperazine | (2R, 5S)-2, 5-DIMETHYL-PIPERAZINE | J-016991 | REL-(2R, 5S)-2, 5-DIMETHYLPIPERAZINE | 2, 5-Dimethylpiperazine (trans) | NSC3708 | NSC-3708 | F12545 | trans-2, 5 dimethylpiperazine | 2, 5-Dimethylpiperazine, meso- | InChI=1/C6H14N

Specifications & Purity

≥98%(GC)

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504757895
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757895
• Canonical Smiles: C[C@H]1CN[C@H](C)CN1
• IUPAC Name: (2R,5S)-2,5-dimethylpiperazine
• InChIKey: NSMWYRLQHIXVAP-OLQVQODUSA-N
• INCHI: 1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3/t5-,6+
• Isomeric SMILES: C[C@@H]1CN[C@H](CN1)C
• WGK Germany: 3
• Alternate CAS: 106-55-8
• UN Number: 2926
• Packing Group: II
• Molecular Weight: 114.19
• Beilstein: 23,19
• Reaxy-Rn: 79886

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperazines
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine - 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 piperazines. These are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms.
• 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: Soluble in Methanol
• Sensitivity: Moisture & Air & Light sensitive.
• Flash Point(°F): 100.4 °F
• Flash Point(°C): 38 °C
• Boil Point(°C): 162-165 °C
• Melt Point(°C): 115-118 °C
• Molecular Weight: 114.190 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.116 Da
• Monoisotopic Mass: 114.116 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.900
• 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

References

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2. Tao Huang, Qilin Wei, Tongzhou Li, Hui Peng, Bingsuo Zou.  (2023)  Efficient Yellow Emission and Near-Unified Photoluminescence Quantum Yield of Sb3+ in a One-Dimensional Confinement Cadmium Chloride Lattice.  ACS Applied Electronic Materials,      [PMID:] [10.1021/acsaelm.3c00183]

3. Tao Huang, Qilin Wei, Wenchao Lin, Hui Peng, Shangfei Yao, Bingsuo Zou.  (2022)  High-efficient yellow-green emission in (TDMP)MnBr4 single crystal with modulation of spin-phonon-charge interactions.  Materials Today Physics,      [PMID:] [10.1016/j.mtphys.2022.100703]

4. Tao Huang, Hui Peng, Qilin Wei, Chengyu Peng, Ye Tian, Shangfei Yao, Xinxin Han, Bingsuo Zou.  (2021)  Magnetic polaronic and bipolaronic excitons in Mn(II) doped (TDMP)PbBr4 and their high emission.  Nano Energy,      [PMID:] [10.1016/j.nanoen.2021.106863]

5. Ruijing Fu, Junpeng Gao, Lingrui Wang, Bin Xiao, Tao Hu, Guangxia Wang, Qingguang Zeng, Guanjun Xiao.  (2024)  Structure Evolution and Optical Tuning of One-Dimensional Post-perovskite (TDMP)PbBr4 under High Pressure.  INORGANIC CHEMISTRY,      [PMID:39295474] [10.1021/acs.inorgchem.4c03145]

6. Chuxiong Zhou, Yujun Zhou, Ou Xu, Linghang Kong, Wei Tian, Xuda Kan, Tao Huang, Bingsuo Zou.  (2025)  Record-High Photoluminescence Efficiency and Excellent Scintillation in Two-Dimensional Diamine Hybrid Copper(I) Halides.  ACS Applied Materials & Interfaces,      [PMID:40928952] [10.1021/acsami.5c12482]