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Molecule
Nortriptyline Hydrochloride
CAS: 894-71-3 · C19H22ClN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 894-71-3
- Molecular Formula
- C19H22ClN
- Molecular Mass
- 299.84 g/mol
Identifiers
CAS Registry Number
894-71-3
SMILES
CNCCC=C1c2ccccc2CCc2ccccc21.Cl
InChI Key
SHAYBENGXDALFF-UHFFFAOYSA-N
InChI
InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H
Names and Synonyms
- Nortriptyline Hydrochloride Synonym
- 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-, hydrochloride (1:1) Synonym
- 5H-Dibenzo[a,d]cycloheptene-Δ5,γ-propylamine, 10,11-dihydro-N-methyl-, hydrochloride Synonym
- 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-, hydrochloride Synonym
- 38489 Synonym
- Aventyl hydrochloride Synonym
- Desmethylamitriptyline hydrochloride Synonym
- 10,11-Dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-Δ5,γ-propylamine hydrochloride Synonym
- 5-[3-(Methylamino)propylidene]dibenzo[a,e]cyclohepta[1,5]diene hydrochloride Synonym
- 5-(3-Methylaminopropylidene)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene hydrochloride Synonym
- Noramitriptyline hydrochloride Synonym
- Nortriptyline hydrochloride Synonym
- Allegron Synonym
- Nortrilen Synonym
- Psychostyl Synonym
- Acetexa Synonym
- Noritren Synonym
- Altilev Synonym
- Pamelor Synonym
- Vividyl Synonym
- Norzepine Synonym
- Sensival Synonym
- Norfenazin Synonym
- Nortryptilinium hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 299.84 g/mol | CAS Common Chemistry |
| 299.84499999999997 g/mol | RDKit | |
| 299.845 g/mol | RDKit | |
| 299.842 g/mol | chempirical lib | |
| Canonical SMILES | Cl.C=1C=CC2=C(C1)C(=CCCNC)C=3C=CC=CC3CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=SHAYBENGXDALFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 213-215 °C | CAS Common Chemistry |
| Name | Nortriptyline hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 4.248200000000004 | RDKit |
| 4.2482 | RDKit | |
| Molar Refractivity | 93.16270000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2632 | RDKit |
| 0.26 | chempirical lib | |
| Exact Mass | 299.144077384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 299.84 g/mol. Edit any field — others recompute live.
