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1,2,3,4-Tetrahydro-1-Naphthylamine
CAS: 2217-40-5 | C10H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2217-40-5
Molecular Formula:
C10H13N
Molecular Mass:
147.22 g/mol
Names and Synonyms:
1,2,3,4-Tetrahydro-1-Naphthylamine
1-Naphthalenamine, 1,2,3,4-tetrahydro-
1-Naphthalenamine, 1,2,3,4-tetrahydro-, (±)-
1-Naphthylamine, 1,2,3,4-tetrahydro-, (±)-
1,2,3,4-Tetrahydro-1-naphthalenamine
1-Aminotetralin
1,2,3,4-Tetrahydro-1-naphthylamine
1-Amino-1,2,3,4-tetrahydronaphthalene
1,2,3,4-Tetrahydro-1-aminonaphthalene
1,2,3,4-Tetrahydronaphthalen-1-ylamine
(±)-1-Aminotetralin
(±)-1,2,3,4-Tetrahydro-α-naphthylamine
(±)-1,2,3,4-Tetrahydro-1-naphthylamine
(RS)-1-Aminotetralin
(RS)-1,2,3,4-Tetrahydro-1-naphthylamine
NSC 30349
1-Aminotetraline
Identifiers:
SMILES:
NC1CCCc2ccccc21
InChI:
InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2
Key Properties
Boiling Point
114 °C @ Press: 10 Torr
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 | |
| Boiling Point | 114 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | NC1C=2C=CC=CC2CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JRZGPXSSNPTNMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,2,3,4-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 | 2.0227000000000004 | RDKit |
| Molar Refractivity | 46.30840000000002 | RDKit |
