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Piperazine
CAS: 110-85-0 | C4H10N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
110-85-0
Molecular Formula:
C4H10N2
Molecular Mass:
86.14 g/mol
Names and Synonyms:
Piperazine
Piperazine
Antiren
1,4-Diazacyclohexane
Diethylenediamine
Dispermine
Hexahydropyrazine
Lumbrical
Piperazidine
Pyrazine, hexahydro-
Pyrazine hexahydride
Pipersol
1,4-Piperazine
Wurmirazin
Worm-A-Ton
Eraverm
Uvilon
Vermex
NSC 474
Tetrahydro-1,4-diazine
Identifiers:
SMILES:
C1CNCCN1
InChI:
InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
Key Properties
Boiling Point
146 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
106 °C
CAS Common Chemistry
Density
1.10 g/cm³
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 | 86.14 g/mol | CAS Common Chemistry |
| 86.138 g/mol | RDKit | |
| 86.08439831999999 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 |
| Boiling Point | 146 °C @ Press: 760 Torr | 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 | RDKit |
