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1-Naphthalenamine, 1,2,3,4-Tetrahydro-, Hydrochloride (1:1)
CAS: 49800-23-9 | C10H14ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
49800-23-9
Molecular Formula:
C10H14ClN
Molecular Mass:
183.68 g/mol
Names and Synonyms:
1-Naphthalenamine, 1,2,3,4-Tetrahydro-, Hydrochloride (1:1)
1-Naphthalenamine, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
1-Naphthylamine, 1,2,3,4-tetrahydro-, hydrochloride
1-Naphthalenamine, 1,2,3,4-tetrahydro-, hydrochloride
1-Naphthalenamine, 1,2,3,4-tetrahydro-, hydrochloride, (±)-
1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride
(±)-1,2,3,4-Tetrahydro-1-naphthylamine hydrochloride
1,2,3,4-Tetrahydronaphthalen-1-amine hydrochloride
1,2,3,4-Tetrahydronaphthalen-1-aminium chloride
Identifiers:
SMILES:
Cl.NC1CCCc2ccccc21
InChI:
InChI=1S/C10H13N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7,11H2;1H
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 | 183.68 g/mol | CAS Common Chemistry |
| 183.68200000000002 g/mol | RDKit | |
| 183.081477128 g/mol | RDKit | |
| Canonical SMILES | Cl.NC1C=2C=CC=CC2CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N.ClH/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-2,4,6,10H,3,5,7,11H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=DETWFIUAXSWCIK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Naphthalenamine, 1,2,3,4-tetrahydro-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 2.4445000000000006 | RDKit |
| Molar Refractivity | 53.556400000000025 | RDKit |
