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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 Weight:
86.138 g/mol
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
Identifiers:
SMILES:
C1CNCCN1
InChI:
InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 86.14 g/mol | Legacy Database |
| density | 1.10 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Piperazine None | Legacy Database |
| cas-boiling-point | 146 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | N1CCNCC1 None | Legacy Database |
| cas-density | 1.1 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=GLUUGHFHXGJENI-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 106 °C None | Legacy Database |
| cas-name | Piperazine None | Legacy Database |
| wikipedia-name | Piperazine None | Legacy Database |
| LogP | -0.8208 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 86.138 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 86.08439831999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 24.06 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.739399999999993 | RDKit |