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2-(1-Piperazinyl)Pyrazine
CAS: 34803-68-4 | C8H12N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34803-68-4
Molecular Formula:
C8H12N4
Molecular Mass:
164.21 g/mol
Names and Synonyms:
2-(1-Piperazinyl)Pyrazine
Pyrazine, 2-(1-piperazinyl)-
Pyrazine, 1-piperazinyl-
2-(1-Piperazinyl)pyrazine
1-(2-Pyrazinyl)piperazine
4-(2-Pyrazinyl)piperazine
2-(Piperazin-1-yl)pyrazine
2,3,5,6-Tetrahydro-[1,2′]bipyrazine
3,4,5,6-Tetrahydro-2H-[1,2′]bipyrazine
1-(Pyrazin-2-yl)piperazine
N-(Pyrazin-2-yl)piperazine
Identifiers:
SMILES:
c1cnc(N2CCNCC2)cn1
InChI:
InChI=1S/C8H12N4/c1-2-11-8(7-10-1)12-5-3-9-4-6-12/h1-2,7,9H,3-6H2
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 | 164.21 g/mol | CAS Common Chemistry |
| 164.21200000000002 g/mol | RDKit | |
| 164.106196384 g/mol | RDKit | |
| Canonical SMILES | N=1C=CN=C(C1)N2CCNCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N4/c1-2-11-8(7-10-1)12-5-3-9-4-6-12/h1-2,7,9H,3-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HCGFLVDMFDHYJD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-(1-Piperazinyl)pyrazine | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.050000000000004 Ų | RDKit |
| LogP | -0.11380000000000035 | RDKit |
| Molar Refractivity | 47.11470000000002 | RDKit |
