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Molecule
Piperazine
CAS: 110-85-0 · C4H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 110-85-0
- Molecular Formula
- C4H10N2
- Molecular Mass
- 86.14 g/mol
Identifiers
CAS Registry Number
110-85-0
SMILES
C1CNCCN1
InChI Key
GLUUGHFHXGJENI-UHFFFAOYSA-N
InChI
InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
Names and Synonyms
- Piperazine Synonym
- Piperazine Synonym
- Antiren Synonym
- 1,4-Diazacyclohexane Synonym
- Diethylenediamine Synonym
- Dispermine Synonym
- Hexahydropyrazine Synonym
- Lumbrical Synonym
- Piperazidine Synonym
- Pyrazine, hexahydro- Synonym
- Pyrazine hexahydride Synonym
- Pipersol Synonym
- 1,4-Piperazine Synonym
- Wurmirazin Synonym
- Worm-A-Ton Synonym
- Eraverm Synonym
- Uvilon Synonym
- Vermex Synonym
- NSC 474 Synonym
- Tetrahydro-1,4-diazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 86.14 g/mol | CAS Common Chemistry |
| 86.138 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.1 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Piperazine | CAS Common Chemistry |
| Canonical SMILES | N1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GLUUGHFHXGJENI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 106 °C | CAS Common Chemistry |
| Name | Piperazine | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 24.06 Ų | RDKit |
| LogP | -0.8208 | RDKit |
| Molar Refractivity | 25.739399999999993 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 86.08439831999999 g/mol | RDKit |
| Boiling Point | 146 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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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Quick conversion
MW = 86.14 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10N2.
