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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 Mass:
147.22 g/mol
Names and Synonyms:
5,6,7,8-Tetrahydro-1-Naphthylamine
1-Naphthalenamine, 5,6,7,8-tetrahydro-
1-Naphthylamine, 5,6,7,8-tetrahydro-
5,6,7,8-Tetrahydro-1-naphthalenamine
5-Aminotetralin
5-Amino-1,2,3,4-tetrahydronaphthalene
1-Amino-5,6,7,8-tetrahydronaphthalene
5-Tetralinylamine
5,6,7,8-Tetrahydro-1-naphthylamine
1,2,3,4-Tetrahydro-5-naphthylamine
5,6,7,8-Tetrahydro-1-naphthalenylamine
NSC 53503
1,2,3,4-Tetrahydro-5-naphthalenamine
1,2,3,4-Tetrahydro-5-aminonaphthalene
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
Key Properties
Boiling Point
279 °C
CAS Common Chemistry
Melting Point
38 °C
CAS Common Chemistry
Density
1.06 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 | 147.22 g/mol | CAS Common Chemistry |
| 147.22099999999998 g/mol | RDKit | |
| 147.104799416 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.0607 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 279 °C | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=CC2=C1CCCC2 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=SODWJACROGQSMM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 38 °C | CAS Common Chemistry |
| Name | 5,6,7,8-Tetrahydro-1-naphthylamine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 2.1475999999999997 | RDKit |
| Molar Refractivity | 47.49640000000002 | RDKit |
