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Imipramine Hydrochloride
CAS: 113-52-0 | C19H25ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
113-52-0
Molecular Formula:
C19H25ClN2
Molecular Mass:
316.88 g/mol
Names and Synonyms:
Imipramine Hydrochloride
DIPD
5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-, hydrochloride (1:1)
Janimine
5H-Dibenz[b,f]azepine, 5-[3-(dimethylamino)propyl]-10,11-dihydro-, monohydrochloride
5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-, monohydrochloride
G 22355
5-(3-Dimethylaminopropyl)-10,11-dihydro-5H-dibenz[b,f]azepine hydrochloride
N-(γ-Dimethylaminopropyl)iminodibenzyl hydrochloride
N-(3-Dimethylaminopropyl)iminodibenzyl hydrochloride
Imipramine hydrochloride
Tofranil
Imizine
Melipramine hydrochloride
Imizin
Imipramine monohydrochloride
Tofranile
Teperine
Feinalmin
Irmin
Novo-pramine
Timolet
Eupramin
Censtim
Censtin
Surplix
SK-Pramine
Imizinum
Pryleugan
Intalpram
Tipramine
Chrytemin
Apo-Imipramine
Praminil
Imidobenzyle
Iramil
Imidol
Imiprin
Impril
Imavate
Imilanyle
Efuranol
Promiben
Dimipressin
Deprinol
Presamine
Dyna-Zina
Depsol
Melipramin
Identifiers:
SMILES:
CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl
InChI:
InChI=1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H
Key Properties
Melting Point
174-175 °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 | 316.88 g/mol | CAS Common Chemistry |
| 316.87600000000003 g/mol | RDKit | |
| 316.17062648 g/mol | RDKit | |
| Canonical SMILES | Cl.C=1C=CC2=C(C1)N(C=3C=CC=CC3CC2)CCCN(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H24N2.ClH/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=XZZXIYZZBJDEEP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 174-175 °C | CAS Common Chemistry |
| Name | Imipramine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 4.296800000000005 | RDKit |
| Molar Refractivity | 97.71700000000006 | RDKit |
