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Molecule
1,4-Dimethylpiperazine
CAS: 106-58-1 · C6H14N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 106-58-1
- Molecular Formula
- C6H14N2
- Molecular Mass
- 114.19 g/mol
Identifiers
CAS Registry Number
106-58-1
SMILES
CN1CCN(C)CC1
InChI Key
RXYPXQSKLGGKOL-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3
Names and Synonyms
- 1,4-Dimethylpiperazine Synonym
- Piperazine, 1,4-dimethyl- Synonym
- 1,4-Dimethylpiperazine Synonym
- N,N′-Dimethylpiperazine Synonym
- Lupetazine Synonym
- Texacat DMP Synonym
- NSC 41177 Synonym
- Jeffcat DMP Synonym
- RCA 117 Synonym
- Addocat 117 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 114.19 g/mol | CAS Common Chemistry |
| 114.192 g/mol | RDKit | |
| Boiling Point | 131 °C | CAS Common Chemistry |
| Canonical SMILES | N1(C)CCN(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2/c1-7-3-5-8(2)6-4-7/h3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RXYPXQSKLGGKOL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168-169 °C | CAS Common Chemistry |
| Name | 1,4-Dimethylpiperazine | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | -0.13640000000000008 | RDKit |
| -0.1364 | RDKit | |
| Molar Refractivity | 34.99399999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 114.11569844799999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 114.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14N2.
