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Molecule
Piperazine, Hexahydrate
CAS: 142-63-2 · C4H22N2O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 142-63-2
- Molecular Formula
- C4H22N2O6
- Molecular Mass
- 194.23 g/mol
Identifiers
CAS Registry Number
142-63-2
SMILES
C1CNCCN1.O.O.O.O.O.O
InChI Key
AVRVZRUEXIEGMP-UHFFFAOYSA-N
InChI
InChI=1S/C4H10N2.6H2O/c1-2-6-4-3-5-1;;;;;;/h5-6H,1-4H2;6*1H2
Names and Synonyms
- Piperazine, Hexahydrate Systematic Name
- Piperazine, hydrate (1:6) Synonym
- Piperazine, hexahydrate Synonym
- Arpezine Synonym
- Arthriticine Synonym
- Parid Synonym
- Vermisol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.23 g/mol | CAS Common Chemistry |
| 194.22799999999995 g/mol | RDKit | |
| 194.228 g/mol | RDKit | |
| Canonical SMILES | O.N1CCNCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H10N2.6H2O/c1-2-6-4-3-5-1;;;;;;/h5-6H,1-4H2;6*1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=AVRVZRUEXIEGMP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 44 °C | CAS Common Chemistry |
| Name | Piperazine, hexahydrate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 213.06 Ų | RDKit |
| LogP | -5.768999999999996 | RDKit |
| -5.769 | RDKit | |
| Molar Refractivity | 47.42220000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 194.147786424 g/mol | RDKit |
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.
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MW = 194.23 g/mol. Edit any field — others recompute live.
