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Molecule
Imipramine Hydrochloride
CAS: 113-52-0 · C19H25ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 113-52-0
- Molecular Formula
- C19H25ClN2
- Molecular Mass
- 316.88 g/mol
Identifiers
CAS Registry Number
113-52-0
SMILES
CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl
InChI Key
XZZXIYZZBJDEEP-UHFFFAOYSA-N
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
Names and Synonyms
- Imipramine Hydrochloride Common Name
- DIPD Synonym
- 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-, hydrochloride (1:1) Synonym
- Janimine Synonym
- 5H-Dibenz[b,f]azepine, 5-[3-(dimethylamino)propyl]-10,11-dihydro-, monohydrochloride Synonym
- 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N,N-dimethyl-, monohydrochloride Synonym
- G 22355 Synonym
- 5-(3-Dimethylaminopropyl)-10,11-dihydro-5H-dibenz[b,f]azepine hydrochloride Synonym
- N-(γ-Dimethylaminopropyl)iminodibenzyl hydrochloride Synonym
- N-(3-Dimethylaminopropyl)iminodibenzyl hydrochloride Synonym
- Imipramine hydrochloride Synonym
- Tofranil Synonym
- Imizine Synonym
- Melipramine hydrochloride Synonym
- Imizin Synonym
- Imipramine monohydrochloride Synonym
- Tofranile Synonym
- Teperine Synonym
- Feinalmin Synonym
- Irmin Synonym
- Novo-pramine Synonym
- Timolet Synonym
- Eupramin Synonym
- Censtim Synonym
- Censtin Synonym
- Surplix Synonym
- SK-Pramine Synonym
- Imizinum Synonym
- Pryleugan Synonym
- Intalpram Synonym
- Tipramine Synonym
- Chrytemin Synonym
- Apo-Imipramine Synonym
- Praminil Synonym
- Imidobenzyle Synonym
- Iramil Synonym
- Imidol Synonym
- Imiprin Synonym
- Impril Synonym
- Imavate Synonym
- Imilanyle Synonym
- Efuranol Synonym
- Promiben Synonym
- Dimipressin Synonym
- Deprinol Synonym
- Presamine Synonym
- Dyna-Zina Synonym
- Depsol Synonym
- Melipramin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 316.88 g/mol | CAS Common Chemistry |
| 316.87600000000003 g/mol | RDKit | |
| 316.876 g/mol | RDKit | |
| 316.873 g/mol | chempirical lib | |
| 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 |
| 6.02 Ų | chempirical lib | |
| LogP | 4.296800000000005 | RDKit |
| 4.2968 | RDKit | |
| Molar Refractivity | 97.71700000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3684 | RDKit |
| 0.37 | chempirical lib | |
| Exact Mass | 316.17062648 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 316.88 g/mol. Edit any field — others recompute live.
