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5,6,7,8-Tetrahydro-1-Naphthylamine
CAS: 2217-41-6 | C10H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2217-41-6
Molecular Formula:
C10H13N
Molecular Weight:
147.22099999999998 g/mol
Names and Synonyms:
5,6,7,8-Tetrahydro-1-Naphthylamine
1,2,3,4-Tetrahydro-5-aminonaphthalene
1,2,3,4-Tetrahydro-5-naphthalenamine
NSC 53503
5,6,7,8-Tetrahydro-1-naphthalenylamine
1,2,3,4-Tetrahydro-5-naphthylamine
5,6,7,8-Tetrahydro-1-naphthylamine
5-Tetralinylamine
1-Amino-5,6,7,8-tetrahydronaphthalene
5-Amino-1,2,3,4-tetrahydronaphthalene
5-Aminotetralin
5,6,7,8-Tetrahydro-1-naphthalenamine
1-Naphthylamine, 5,6,7,8-tetrahydro-
1-Naphthalenamine, 5,6,7,8-tetrahydro-
Identifiers:
SMILES:
Nc1cccc2c1CCCC2
InChI:
InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6,11H2
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 | 147.22 g/mol | Legacy Database |
| density | 1.06 g/cm³ | Legacy Database |
| cas-boiling-point | 279 °C None | Legacy Database |
| cas-canonical-smile | NC1=CC=CC2=C1CCCC2 None | Legacy Database |
| cas-density | 1.0607 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6,11H2 None | Legacy Database |
| cas-inchi-key | InChIKey=SODWJACROGQSMM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 38 °C None | Legacy Database |
| cas-name | 5,6,7,8-Tetrahydro-1-naphthylamine None | Legacy Database |
| LogP | 2.1475999999999997 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 147.22099999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 147.104799416 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 26.02 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 47.49640000000002 | RDKit |
