Back to Search
Molecule
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
Identifiers
CAS Registry Number
58-28-6
SMILES
CNCCCN1c2ccccc2CCc2ccccc21.Cl
InChI Key
XAEWZDYWZHIUCT-UHFFFAOYSA-N
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
Names and Synonyms
- Desipramine Hydrochloride Common Name
- 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N-methyl-, hydrochloride (1:1) Synonym
- 5H-Dibenz[b,f]azepine, 10,11-dihydro-5-[3-(methylamino)propyl]-, monohydrochloride Synonym
- 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N-methyl-, monohydrochloride Synonym
- EX 4355 Synonym
- JB 8181 Synonym
- G 35020 Synonym
- Demethylimipramine hydrochloride Synonym
- Desipramine hydrochloride Synonym
- 10,11-Dihydro-5-[3-(methylamino)propyl]-5H-dibenz[b,f]azepine monohydrochloride Synonym
- DMI hydrochloride Synonym
- GMI Synonym
- N-(γ-Methylaminopropyl)iminodibenzyl hydrochloride Synonym
- Pertofrane Synonym
- Desipramine monohydrochloride Synonym
- Pertofran Synonym
- Desmethylimipramine monohydrochloride Synonym
- Desmethylimipramine chloride Synonym
- 5-[3-(Methylamino)propyl]-5H-dibenz[b,f]azepine hydrochloride Synonym
- Desimipramine-hydrochloride Synonym
- Norpramin Synonym
- Desmethylimipramine-hydrochloride Synonym
- RMI 9384A Synonym
- NSC 114901 Synonym
- Nortrimil Synonym
- Petilil Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 302.85 g/mol | CAS Common Chemistry |
| 302.849 g/mol | RDKit | |
| 302.846 g/mol | chempirical lib | |
| 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 |
| 15.04 Ų | chempirical lib | |
| LogP | 3.954600000000004 | RDKit |
| 3.9546 | RDKit | |
| Molar Refractivity | 93.08970000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 302.154976416 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 302.85 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H23ClN2.
