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Tacrine Hydrochloride
CAS: 1684-40-8 | C13H15ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1684-40-8
Molecular Formula:
C13H15ClN2
Molecular Mass:
234.73 g/mol
Names and Synonyms:
Tacrine Hydrochloride
9-Acridinamine, 1,2,3,4-tetrahydro-, hydrochloride (1:1)
Acridine, 9-amino-1,2,3,4-tetrahydro-, monohydrochloride
9-Acridinamine, 1,2,3,4-tetrahydro-, monohydrochloride
Acridine, 9-amino-1,2,3,4-tetrahydro-, hydrochloride
Hydroaminacrine
Tacrin hydrochloride
Romotal
Tenakrin
THA
Tacrine hydrochloride
1,2,3,4-Tetrahydro-9-aminoacridine hydrochloride
CI 970
Cognex
9-Amino-1,2,3,4-Tetrahydroacridine hydrochloride
5,6,7,8-Tetrahydroacridin-9-amine hydrochloride
Identifiers:
SMILES:
Cl.N=c1c2c([nH]c3ccccc13)CCCC2
InChI:
InChI=1S/C13H14N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H
Key Properties
Melting Point
283-284 °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 | 234.73 g/mol | CAS Common Chemistry |
| 234.72999999999996 g/mol | RDKit | |
| 234.09237616 g/mol | RDKit | |
| Canonical SMILES | Cl.N=1C=2C=CC=CC2C(N)=C3C1CCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C13H14N2.ClH/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZUFVXZVXEJHHBN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 283-284 °C | CAS Common Chemistry |
| Name | Tacrine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 2.9479700000000006 | RDKit |
| Molar Refractivity | 68.04340000000002 | RDKit |
