Back to Search
Tetralin
CAS: 119-64-2 | C10H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
119-64-2
Molecular Formula:
C10H12
Molecular Weight:
132.206 g/mol
Names and Synonyms:
Tetralin
NSC 77451
Benzocyclohexane
Tetranap
Tetralin
Tetrahydronaphthalene
1,2,3,4-Tetrahydronaphthalene
Naphthalene, 1,2,3,4-tetrahydro-
Identifiers:
SMILES:
c1ccc2c(c1)CCCC2
InChI:
InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 132.206 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.093900384 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 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 | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.5654000000000003 | RDKit |
| cas-name | Tetralin None | Legacy Database |
| wikipedia-name | Tetralin None | Legacy Database |
| cas-inchi-key | InChIKey=CXWXQJXEFPUFDZ-UHFFFAOYSA-N None | Legacy Database |
| molecular_mass | 132.21 g/mol | Legacy Database |
| density | 0.97 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Tetralin None | Legacy Database |
| cas-boiling-point | 207.6 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | C=1C=CC2=C(C1)CCCC2 None | Legacy Database |
| cas-density | 0.9702 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2 None | Legacy Database |
| cas-melting-point | -35.8 °C None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.084000000000024 | RDKit |
