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Nortriptyline Hydrochloride
CAS: 894-71-3 | C19H22ClN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
894-71-3
Molecular Formula:
C19H22ClN
Molecular Mass:
299.84 g/mol
Names and Synonyms:
Nortriptyline Hydrochloride
1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-, hydrochloride (1:1)
5H-Dibenzo[a,d]cycloheptene-Δ5,γ-propylamine, 10,11-dihydro-N-methyl-, hydrochloride
1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-, hydrochloride
38489
Aventyl hydrochloride
Desmethylamitriptyline hydrochloride
10,11-Dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-Δ5,γ-propylamine hydrochloride
5-[3-(Methylamino)propylidene]dibenzo[a,e]cyclohepta[1,5]diene hydrochloride
5-(3-Methylaminopropylidene)-10,11-dihydro-5H-dibenzo[a,d]cycloheptene hydrochloride
Noramitriptyline hydrochloride
Nortriptyline hydrochloride
Allegron
Nortrilen
Psychostyl
Acetexa
Noritren
Altilev
Pamelor
Vividyl
Norzepine
Sensival
Norfenazin
Nortryptilinium hydrochloride
Identifiers:
SMILES:
CNCCC=C1c2ccccc2CCc2ccccc21.Cl
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
Key Properties
Melting Point
213-215 °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 | 299.84 g/mol | CAS Common Chemistry |
| 299.84499999999997 g/mol | RDKit | |
| 299.144077384 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 93.16270000000004 | RDKit |
