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Desipramine Hydrochloride
CAS: 58-28-6 | C18H23ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58-28-6
Molecular Formula:
C18H23ClN2
Molecular Mass:
302.85 g/mol
Names and Synonyms:
Desipramine Hydrochloride
5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N-methyl-, hydrochloride (1:1)
5H-Dibenz[b,f]azepine, 10,11-dihydro-5-[3-(methylamino)propyl]-, monohydrochloride
5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N-methyl-, monohydrochloride
EX 4355
JB 8181
G 35020
Demethylimipramine hydrochloride
Desipramine hydrochloride
10,11-Dihydro-5-[3-(methylamino)propyl]-5H-dibenz[b,f]azepine monohydrochloride
DMI hydrochloride
GMI
N-(γ-Methylaminopropyl)iminodibenzyl hydrochloride
Pertofrane
Desipramine monohydrochloride
Pertofran
Desmethylimipramine monohydrochloride
Desmethylimipramine chloride
5-[3-(Methylamino)propyl]-5H-dibenz[b,f]azepine hydrochloride
Desimipramine-hydrochloride
Norpramin
Desmethylimipramine-hydrochloride
RMI 9384A
NSC 114901
Nortrimil
Petilil
Identifiers:
SMILES:
CNCCCN1c2ccccc2CCc2ccccc21.Cl
InChI:
InChI=1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H
Key Properties
Melting Point
215-216 °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 | 302.85 g/mol | CAS Common Chemistry |
| 302.849 g/mol | RDKit | |
| 302.154976416 g/mol | RDKit | |
| Canonical SMILES | Cl.C=1C=CC2=C(C1)N(C=3C=CC=CC3CC2)CCCNC | CAS Common Chemistry |
| InChI | InChI=1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=XAEWZDYWZHIUCT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 215-216 °C | CAS Common Chemistry |
| Name | Desipramine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 15.27 Ų | RDKit |
| LogP | 3.954600000000004 | RDKit |
| Molar Refractivity | 93.08970000000005 | RDKit |
