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Molecule
Amitriptyline Hydrochloride
CAS: 549-18-8 · C20H24ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 549-18-8
- Molecular Formula
- C20H24ClN
- Molecular Mass
- 313.87 g/mol
Identifiers
CAS Registry Number
549-18-8
SMILES
CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl
InChI Key
KFYRPLNVJVHZGT-UHFFFAOYSA-N
InChI
InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H
Names and Synonyms
- Amitriptyline Hydrochloride Common Name
- Syneudon Synonym
- Trytomer Synonym
- Pinsanu Synonym
- Teperin Synonym
- Enafon Synonym
- Adepril Synonym
- Tryptanol Synonym
- 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride (1:1) Synonym
- 5H-Dibenzo[a,d]cycloheptene-Δ5,γ-propylamine, 10,11-dihydro-N,N-dimethyl-, hydrochloride Synonym
- 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride Synonym
- Amitriptyline hydrochloride Synonym
- 10,11-Dihydro-N,N-dimethyl-5H-dibenzo[a,d]cycloheptene-Δ5,γ-propylamine hydrochloride Synonym
- 5-(3-Dimethylaminopropylidene)dibenzo[a,d][1,4]cycloheptadiene hydrochloride Synonym
- Tryptizol Synonym
- Saroten Synonym
- Damilen hydrochloride Synonym
- Amitriptyline chloride Synonym
- Lentizol Synonym
- Laroxyl Synonym
- Sarotex Synonym
- NIH 10794 Synonym
- Elavil Synonym
- Amineurin Synonym
- Uxen Synonym
- Noriline Synonym
- Triptizol Synonym
- Domical Synonym
- Miketorin Synonym
- Amilent Synonym
- Endep Synonym
- Amiprin Synonym
- Apo-Amitriptyline Synonym
- Larozyl Synonym
- Amicen Synonym
- Saroten Retard Synonym
- Pinsaun Synonym
- Amitrip Synonym
- Tryptine Synonym
- Etravil Synonym
- Amyline Synonym
- Anapsique Synonym
- Tryptal Synonym
- Trynol Synonym
- Tridep Synonym
- Amilit Synonym
- Amiplin Synonym
- Novoprotect Synonym
- Elatrol Synonym
- Tripta Synonym
- Trepiline Synonym
- Redomex Synonym
- Elatrolet Synonym
- Vanatrip Synonym
- Lantron Synonym
- Amyzol Synonym
- Sarotena Synonym
- Euplit Synonym
- Amitril Synonym
- Ro 4-1575 Synonym
- Deprex Synonym
- Sylvemid Synonym
- Amitid Synonym
- Amil 25 Synonym
- ADT Synonym
- [3-(10,11-Dihydro-dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-dimethyl-amine; hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 313.87 g/mol | CAS Common Chemistry |
| 313.872 g/mol | RDKit | |
| 313.869 g/mol | chempirical lib | |
| Canonical SMILES | Cl.C=1C=CC2=C(C1)C(=CCCN(C)C)C=3C=CC=CC3CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C20H23N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-12H,7,13-15H2,1-2H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=KFYRPLNVJVHZGT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 196-197 °C | CAS Common Chemistry |
| Name | Amitriptyline hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | 4.590400000000005 | RDKit |
| 4.5904 | RDKit | |
| Molar Refractivity | 97.79000000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 313.159727448 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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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 = 313.87 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H24ClN.
