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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 Weight:
316.87600000000003 g/mol
Names and Synonyms:
Imipramine Hydrochloride
Melipramin
Depsol
Dyna-Zina
Presamine
Deprinol
Dimipressin
Promiben
Efuranol
Imilanyle
Imavate
Impril
Imiprin
Imidol
Iramil
Imidobenzyle
Praminil
Apo-Imipramine
Chrytemin
Tipramine
Intalpram
Pryleugan
Imizinum
SK-Pramine
Surplix
Censtin
Censtim
Eupramin
Timolet
Novo-pramine
Irmin
Feinalmin
Teperine
Tofranile
Imipramine monohydrochloride
Imizin
Melipramine hydrochloride
Imizine
Tofranil
Imipramine hydrochloride
N-(3-Dimethylaminopropyl)iminodibenzyl hydrochloride
N-(γ-Dimethylaminopropyl)iminodibenzyl hydrochloride
5-(3-Dimethylaminopropyl)-10,11-dihydro-5H-dibenz[b,f]azepine hydrochloride
G 22355
5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-, monohydrochloride
5H-Dibenz[b,f]azepine, 5-[3-(dimethylamino)propyl]-10,11-dihydro-, monohydrochloride
Janimine
5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-, hydrochloride (1:1)
DIPD
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 316.88 g/mol | Legacy Database |
| cas-canonical-smile | Cl.C=1C=CC2=C(C1)N(C=3C=CC=CC3CC2)CCCN(C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=XZZXIYZZBJDEEP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 174-175 °C None | Legacy Database |
| cas-name | Imipramine hydrochloride None | Legacy Database |
| LogP | 4.296800000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 316.87600000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 316.17062648 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 22 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 6.48 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 97.71700000000006 | RDKit |
