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6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline Hydrochloride
CAS: 2328-12-3 | C11H16ClNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2328-12-3
Molecular Formula:
C11H16ClNO2
Molecular Mass:
229.71 g/mol
Names and Synonyms:
6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline Hydrochloride
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1)
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride
Heliamine hydrochloride
1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline hydrochloride
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinoline hydrochloride
6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline monohydrochloride
6,7-Bis(methyloxy)-1,2,3,4-tetrahydroisoquinoline hydrochloride
Identifiers:
SMILES:
COc1cc2c(cc1OC)CNCC2.Cl
InChI:
InChI=1S/C11H15NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-6,12H,3-4,7H2,1-2H3;1H
Key Properties
Melting Point
263 °C
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 | 229.71 g/mol | CAS Common Chemistry |
| 229.70699999999997 g/mol | RDKit | |
| 229.086956432 g/mol | RDKit | |
| Canonical SMILES | Cl.O(C=1C=C2C(=CC1OC)CCNC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H15NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-6,12H,3-4,7H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=SHOWAGCIRTUYNA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 263 °C | CAS Common Chemistry |
| Name | 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 30.490000000000002 Ų | RDKit |
| LogP | 1.7712999999999997 | RDKit |
| Molar Refractivity | 62.20470000000003 | RDKit |
