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Piperazine, Hexahydrate
CAS: 142-63-2 | C4H22N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
142-63-2
Molecular Formula:
C4H22N2O6
Molecular Mass:
194.23 g/mol
Names and Synonyms:
Piperazine, Hexahydrate
Piperazine, hydrate (1:6)
Piperazine, hexahydrate
Arpezine
Arthriticine
Parid
Vermisol
Identifiers:
SMILES:
C1CNCCN1.O.O.O.O.O.O
InChI:
InChI=1S/C4H10N2.6H2O/c1-2-6-4-3-5-1;;;;;;/h5-6H,1-4H2;6*1H2
Key Properties
Melting Point
44 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.23 g/mol | CAS Common Chemistry |
| 194.22799999999995 g/mol | RDKit | |
| 194.147786424 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 |
| Molar Refractivity | 47.42220000000002 | RDKit |
