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5,6,7,8-Tetrahydroquinoxaline
CAS: 34413-35-9 | C8H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
34413-35-9
Molecular Formula:
C8H10N2
Molecular Weight:
134.182 g/mol
Names and Synonyms:
5,6,7,8-Tetrahydroquinoxaline
Quinoxaline, 5,6,7,8-tetrahydro-
5,6,7,8-Tetrahydroquinoxaline
Lucel
Tetrahydro Terrazine 014
Identifiers:
SMILES:
c1cnc2c(n1)CCCC2
InChI:
InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-6H,1-4H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 134.18 g/mol | Legacy Database |
| cas-boiling-point | 108-111 °C None | Legacy Database |
| cas-canonical-smile | N=1C=CN=C2C1CCCC2 None | Legacy Database |
| cas-inchi | InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-6H,1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=XCZPDOCRSYZOBI-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 5,6,7,8-Tetrahydroquinoxaline None | Legacy Database |
| LogP | 1.3554 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 134.182 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 134.08439832 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 25.78 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.67400000000001 | RDKit |
